(Z)-p-Methoxycinnamic acid
PubChem CID
1550936
Structure
Molecular Formula
Synonyms
- 5676-64-2
- (Z)-p-Methoxycinnamic acid
- (Z)-3-(4-Methoxyphenyl)acrylic acid
- (Z)-3-(4-methoxyphenyl)prop-2-enoic acid
- 4-Methoxycinnamic acid, (Z)-
Molecular Weight
178.18 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-07-11
- Modify:2025-01-18
Description
(Z)-p-Methoxycinnamic acid has been reported in Xylocarpus granatum with data available.
See also: Dysprosium chloride (annotation moved to); 2-Propenoic acid, 3-(4-methoxyphenyl)-, (Z)- (annotation moved to).
Chemical Structure Depiction
(Z)-3-(4-methoxyphenyl)prop-2-enoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4-
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
AFDXODALSZRGIH-DAXSKMNVSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC=C(C=C1)/C=C\C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H10O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 4-methoxycinnamate
- 4-methoxycinnamate, (E)-isomer
- 4-methoxycinnamate, (Z)-isomer
- 4-methoxycinnamate, aluminum salt
- 4-methoxycinnamate, calcium salt
- 4-methoxycinnamate, magnesium salt
- 4-methoxycinnamate, potassium salt
- 4-methoxycinnamate, sodium salt
- 4-methoxycinnamate, zinc salt
- 4-methoxycinnamate, zirconium salt
- 4-methoxycinnamic acid
- 4-methoxycinnamic acid, (Z)-
- E-p-methoxycinnamic acid
- 5676-64-2
- (Z)-p-Methoxycinnamic acid
- (Z)-3-(4-Methoxyphenyl)acrylic acid
- (Z)-3-(4-methoxyphenyl)prop-2-enoic acid
- 4-Methoxycinnamic acid, (Z)-
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, (2Z)-
- 6F5Z52LO5A
- 4-Methoxy-cis-cinnamic acid
- UNII-6F5Z52LO5A
- EINECS 227-137-0
- (Z)-3-(4-Methoxyphenyl)acrylicacid
- cis-2-Propenoic acid, 3-(4-methoxyphenyl)-
- (Z)-4-methoxycinnamic acid
- (Z)-p-Methoxy-cinnamic acid
- SCHEMBL12473722
- DTXSID20884182
- Cinnamic acid, 4-methoxy-, cis-
- CIS-4-METHOXYCINNAMIC ACID
- NS00082595
- F11299
- Q27264800
- D6D646CA-9E2F-4088-B234-EC72B3E3E4B8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
178.18 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
1.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
178.062994177 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
178.062994177 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
46.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
190
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Semi-standard non-polar
1666
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- Dysprosium chloride (annotation moved to)
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, (Z)- (annotation moved to)
EPA TSCA Commercial Activity Status
2-Propenoic acid, 3-(4-methoxyphenyl)-, (2Z)-: INACTIVE
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=AFDXODALSZRGIH-DAXSKMNVSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/cis-4-Methoxycinnamic acidhttps://commonchemistry.cas.org/detail?cas_rn=5676-64-2
- ChemIDplus4-Methoxycinnamic acid, (Z)-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0005676642ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCA2-Propenoic acid, 3-(4-methoxyphenyl)-, (2Z)-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSTox2-Propenoic acid, 3-(4-methoxyphenyl)-, (2Z)-https://comptox.epa.gov/dashboard/DTXSID20884182CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice(Z)-p-methoxycinnamic acidhttps://echa.europa.eu/substance-information/-/substanceinfo/100.024.670
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking4-METHOXYCINNAMIC ACID, (Z)-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6F5Z52LO5A
- Japan Chemical Substance Dictionary (Nikkaji)
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/(Z)-p-Methoxycinnamic acidhttps://www.wikidata.org/wiki/Q27264800LOTUS Treehttps://lotus.naturalproducts.net/
- Natural Product Activity and Species Source (NPASS)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law(Z)-p-Methoxy-cinnamic acidhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseCIS-PARA-METHOXYCINNAMIC-ACIDhttps://spectrabase.com/spectrum/K2b72dPYx0cZ-PARA-METHOXYCINNAMATE;Z-MCAhttps://spectrabase.com/spectrum/G4YjCZC5tyn4-Methoxycinnamic acidhttps://spectrabase.com/spectrum/2omAeWXsOY4
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata(Z)-4-methoxycinnamic acidhttps://www.wikidata.org/wiki/Q27264800
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html4-methoxycinnamic acidhttps://www.ncbi.nlm.nih.gov/mesh/67063318
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 387873386https://pubchem.ncbi.nlm.nih.gov/substance/387873386
CONTENTS