Methyl 6-hydroxy-2-naphthoate
PubChem CID
390995
Structure
Molecular Formula
Synonyms
- Methyl 6-hydroxy-2-naphthoate
- 17295-11-3
- methyl 6-hydroxynaphthalene-2-carboxylate
- 6-Hydroxy-2-naphthoic Acid Methyl Ester
- NSC689401
Molecular Weight
202.21 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
methyl 6-hydroxynaphthalene-2-carboxylate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C12H10O3/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7,13H,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
UKZOPQRTQJERQC-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
COC(=O)C1=CC2=C(C=C1)C=C(C=C2)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H10O3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
17295-11-3
- Methyl 6-hydroxy-2-naphthoate
- 17295-11-3
- methyl 6-hydroxynaphthalene-2-carboxylate
- 6-Hydroxy-2-naphthoic Acid Methyl Ester
- NSC689401
- CHEMBL18726
- 6-hydroxynaphthalene-2-carboxylic acid methyl ester
- 6-Hydroxy-naphthalene-2-carboxylic acid methyl ester
- MFCD00100526
- SCHEMBL363156
- 6-methoxycarbonyl-beta-naphthol
- UKZOPQRTQJERQC-UHFFFAOYSA-
- DTXSID10327816
- BDBM50057345
- AKOS022181134
- NSC-689401
- methyl 2-hydroxynaphthalene-6-carboxylate
- NCI60_032181
- TS-02871
- methyl 6-hydroxynaph-thalene-2-carboxylate
- DB-064888
- CS-0043065
- H1053
- EN300-7414760
- 2-hydroxynaphthalene-6-carboxylic acid methyl ester
- 6-hydroxy-2-naphthalenecarboxylic acid methyl ester
- F2173-1251
- Z269082758
- InChI=1/C12H10O3/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7,13H,1H3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
202.21 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.7
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
202.062994177 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
202.062994177 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
46.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
239
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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)
1D NMR Spectra
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 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=UKZOPQRTQJERQC-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- 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 DSSToxMethyl 6-hydroxy-2-naphthoatehttps://comptox.epa.gov/dashboard/DTXSID10327816
- Japan Chemical Substance Dictionary (Nikkaji)
- NMRShiftDB
- 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/
- WikidataMethyl 6-hydroxy-2-naphthoatehttps://www.wikidata.org/wiki/Q82089896
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388500393https://pubchem.ncbi.nlm.nih.gov/substance/388500393
CONTENTS