4-Hydroxy-2-methoxybenzoic acid
PubChem CID
12695575
Structure
Molecular Formula
Synonyms
- 4-Hydroxy-2-methoxybenzoic acid
- 90111-34-5
- 4-Hydroxy-2-methoxy-benzoic acid
- 2-Methoxy-4-hydroxybenzoic acid
- DTXSID50507155
Molecular Weight
168.15 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-02-08
- Modify:2025-02-01
Description
4-Hydroxy-2-methoxybenzoic acid has been reported in Malva sylvestris, Kalanchoe deficiens, and Pteridium aquilinum with data available.
Chemical Structure Depiction
4-hydroxy-2-methoxybenzoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C8H8O4/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,9H,1H3,(H,10,11)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
GWYPJBKNXSRAPX-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
COC1=C(C=CC(=C1)O)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C8H8O4
Computed by PubChem 2.1 (PubChem release 2019.06.18)
90111-34-5
- 4-Hydroxy-2-methoxybenzoic acid
- 90111-34-5
- 4-Hydroxy-2-methoxy-benzoic acid
- 2-Methoxy-4-hydroxybenzoic acid
- DTXSID50507155
- 4-Hydroxy-2-methoxybenzoicacid
- Benzoic acid, 4-hydroxy-2-methoxy-
- MFCD06203226
- 4-hydroxy-2-methoxybenzoate
- SCHEMBL901018
- DTXCID90457963
- AKOS006344015
- AC-1734
- AT19378
- MB03687
- DA-01321
- CS-0196013
- H57194
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
168.15 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
1.4
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
168.04225873 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
168.04225873 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
66.8 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
168
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
0
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 2012.11.26)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=GWYPJBKNXSRAPX-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- EPA DSSTox4-Hydroxy-2-methoxybenzoic acidhttps://comptox.epa.gov/dashboard/DTXSID50507155
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database4-Hydroxy-2-methoxybenzoic acidhttp://www.knapsackfamily.com/knapsack_core/info.php?sname=C_ID&word=C00034769
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/4-Hydroxy-2-methoxybenzoic acidhttps://www.wikidata.org/wiki/Q82363218LOTUS Treehttps://lotus.naturalproducts.net/
- Natural Product Activity and Species Source (NPASS)
- SpectraBasePluchoic acid [2-Methoxy-4-hydroxybenzenoic acid]https://spectrabase.com/spectrum/C1M1aGkNB1l
- Springer Nature
- Wikidata4-Hydroxy-2-methoxybenzoic acidhttps://www.wikidata.org/wiki/Q82363218
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403517349https://pubchem.ncbi.nlm.nih.gov/substance/403517349
CONTENTS