3-Hydroxy-1-naphthoic acid

HCID 190232CAS 19700-42-6

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1cc(O)cc2ccccc12
InChIKey: OCISOSJGBCQHHN-UHFFFAOYSA-N
Molecular formula: C11H8O3
Average molar mass: 188.18 g/mol
Monoisotopic mass: 188.04734412

Names & identifiers

Preferred name: 3-Hydroxy-1-naphthoic acid
IUPAC: 3-hydroxynaphthalene-1-carboxylic acid
English name: 3-Hydroxynaphthalene-1-carboxylic acid
Molecular formula: C11H8O3
Molecular weight: 188.18

Names & synonyms

19700-42-63-HYDROXY-1-NAPHTHOIC ACID1-Naphthalenecarboxylic acid, 3-hydroxy-1-Naphthoic acid, 3-hydroxy-3-hydroxy-1-naphthalenecarboxylic acidUNII-KY8XN9GFR5KY8XN9GFR5DTXSID00173369RefChem:198294DTXCID70958603-hydroxynaphthalene-1-carboxylic AcidMFCD17011843

Show more names

3-hydroxynaphthalene-1-carboxylic acid - [H84417]

3-oxynaphthoic acidSCHEMBL80302SCHEMBL692620SCHEMBL301827143-HYDROXY-1-NAPHTHOICACIDOCISOSJGBCQHHN-UHFFFAOYSA-N3-hydroxy-1-napthalenecarboxylic acidAKOS022505548

Database identifiers

CAS: 19700-42-6
PubChem CID: 190232
DTXSID: DTXSID00173369
UNII: KY8XN9GFR5
Nikkaji: J167.275D

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 227

Physicochemical properties

Melting point: 242 · 242-243 °C
Boiling point: 450.6 · 450.6±28.0 °C(Predicted)
Density: 1.399 · 1.399±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 3.61 · 3.61±0.10(Predicted)
Appearance: White to off-white Solid
FDA UNII: 8 XN9GFR5 · KY8XN9GFR5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501