2,3-Dihydroxynaphthalene-1-carboxylic acid
PubChem CID
28002
Structure
Molecular Formula
Synonyms
- 16715-77-8
- 2,3-dihydroxynaphthalene-1-carboxylic acid
- 1-Naphthalenecarboxylic acid, 2,3-dihydroxy-
- 2,3-Dihydroxynaphthoic acid
- 2,3-Dihydroxy-1-naphthoic acid
Molecular Weight
204.18 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2024-12-28
Chemical Structure Depiction
2,3-dihydroxynaphthalene-1-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H8O4/c12-8-5-6-3-1-2-4-7(6)9(10(8)13)11(14)15/h1-5,12-13H,(H,14,15)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
WZPLEIAOQJXZJX-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C2C(=C1)C=C(C(=C2C(=O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C11H8O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
16715-77-8
- 16715-77-8
- 2,3-dihydroxynaphthalene-1-carboxylic acid
- 1-Naphthalenecarboxylic acid, 2,3-dihydroxy-
- 2,3-Dihydroxynaphthoic acid
- 2,3-Dihydroxy-1-naphthoic acid
- 1-NAPHTHOIC ACID, 2,3-DIHYDROXY-
- NSC 8635
- dihydroxynaphthoic acid
- .beta.-Oxynaphtoic acid
- SCHEMBL88986
- DTXSID00168235
- NSC8635
- NSC-8635
- 2,3-Dihydroxy-1-naphthoic acid #
- STK093735
- AKOS004114665
- NCGC00247882-01
- DA-17877
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
204.18 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
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
204.04225873 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
204.04225873 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
77.8Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
253
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)
NIST Number
127419
Library
Main library
Total Peaks
139
m/z Top Peak
186
m/z 2nd Highest
158
m/z 3rd Highest
204
Thumbnail
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WZPLEIAOQJXZJX-UHFFFAOYSA-N
- ChemIDplus1-Naphthoic acid, 2,3-dihydroxy-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0016715778ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox1-Naphthoic acid, 2,3-dihydroxy-https://comptox.epa.gov/dashboard/DTXSID00168235CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1-Naphthoic acid, 2,3-dihydroxy-http://www.nist.gov/srd/nist1a.cfm
- Springer Nature
- Wikidata2,3-Dihydroxynaphthalene-1-carboxylic acidhttps://www.wikidata.org/wiki/Q72466804
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403030602https://pubchem.ncbi.nlm.nih.gov/substance/403030602
CONTENTS