5-Acenaphthylenesulfonic acid, 1,2-dihydro-
PubChem CID
104565
Structure
Molecular Formula
Synonyms
- 53700-79-1
- 1,2-dihydroacenaphthylene-5-sulfonic acid
- 5-Acenaphthylenesulfonic acid, 1,2-dihydro-
- Acenaphthene-5-sulphonic acid
- Acenaphthene-5-sulfonic acid
Molecular Weight
234.27 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
1,2-dihydroacenaphthylene-5-sulfonic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C12H10O3S/c13-16(14,15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,13,14,15)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XXACHQRFXDSJNO-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CC2=CC=C(C3=CC=CC1=C23)S(=O)(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H10O3S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 53700-79-1
- 1,2-dihydroacenaphthylene-5-sulfonic acid
- 5-Acenaphthylenesulfonic acid, 1,2-dihydro-
- Acenaphthene-5-sulphonic acid
- Acenaphthene-5-sulfonic acid
- EINECS 258-706-1
- MFCD10566859
- 1,2-dihydro-5-Acenaphthylenesulfonic acid
- RE794FJ2H6
- SCHEMBL1729565
- DTXSID9068877
- XXACHQRFXDSJNO-UHFFFAOYSA-N
- ALBB-023591
- AKOS015998147
- 1,2-dihydroacenaphthylene-5-sulfonicacid
- DB-243009
- NS00032818
- H34061
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
234.27 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
2.8
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
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
234.03506535 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
234.03506535 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
62.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
370
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
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 2021.10.14)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
EPA TSCA Commercial Activity Status
5-Acenaphthylenesulfonic acid, 1,2-dihydro-: INACTIVE
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=XXACHQRFXDSJNO-UHFFFAOYSA-N
- 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/4.0/1,2-Dihydro-5-acenaphthylenesulfonic acidhttps://commonchemistry.cas.org/detail?cas_rn=53700-79-1
- ChemIDplus5-Acenaphthylenesulfonic acid, 1,2-dihydro-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0053700791ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCA5-Acenaphthylenesulfonic acid, 1,2-dihydro-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSTox5-Acenaphthylenesulfonic acid, 1,2-dihydro-https://comptox.epa.gov/dashboard/DTXSID9068877CompTox 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-noticeAcenaphthene-5-sulphonic acidhttps://echa.europa.eu/substance-information/-/substanceinfo/100.053.351
- 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#linking5-Acenaphthylenesulfonic acid, 1,2-dihydro-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RE794FJ2H6
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidata5-Acenaphthylenesulfonic acid, 1,2-dihydro-https://www.wikidata.org/wiki/Q81995640
- PubChem
- 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 403404678https://pubchem.ncbi.nlm.nih.gov/substance/403404678
CONTENTS