CAS 17295-11-3 Methyl 6-hydroxy-2-naphthoate (HCID 390995)

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Basic information

CAS: 17295-11-3
Standard SMILES: COC(=O)c1ccc2cc(O)ccc2c1
InChIKey: UKZOPQRTQJERQC-UHFFFAOYSA-N
Molecular formula: C12H10O3
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.06299418

Names & identifiers

Preferred name: Methyl 6-hydroxy-2-naphthoate
IUPAC: methyl 6-hydroxynaphthalene-2-carboxylate
English name: METHYL 6-HYDROXY-2-NAPHTHOATE
Molecular formula: C12H10O3
Molecular weight: 202.21

Names & synonyms

Methyl 6-hydroxy-2-naphthoate17295-11-3DTXSID10327816RefChem:1089505DTXCID80278927methyl 6-hydroxynaphthalene-2-carboxylate6-Hydroxy-2-naphthoic Acid Methyl EsterMFCD00100526NSC689401CHEMBL18726SCHEMBL3631562-hydroxynaphthalene-6-carboxylic acid methyl ester

Show more names

6-Carbomethoxy-2-naphtholMethyl6-Hydroxy-2-naphthoate>6-Hydroxy-2-naphthalene methyl ester2-Naphthalenecarboxylic acid, 6-hydroxy-, Methyl ester

NSC-689401H10536-hydroxynaphthalene-2-carboxylic acid methyl ester6-Hydroxy-naphthalene-2-carboxylic acid methyl esterFT-07478876-hydroxy-2-naphthalenecarboxylic acid methyl ester6-methoxycarbonyl-beta-naphtholSCHEMBL27740568

Database identifiers

CAS: 17295-11-3
PubChem CID: 390995
DTXSID: DTXSID10327816
ChEMBL: CHEMBL18726
Nikkaji: J540.189E

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 239

Physicochemical properties

Melting point: 170 °C · 170 °C
Boiling point: 368.5 · 368.5±15.0 °C(Predicted)
Density: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 8.83 · 8.83±0.40(Predicted)
color: White to Almost white
InChI: InChI=1S/C12H10O3/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7,13H,1H3
InChIKey: UKZOPQRTQJERQC-UHFFFAOYSA-N
SMILES: C1=C2C(C=C(O)C=C2)=CC=C1C(OC)=O
CAS DataBase Reference: 17295 · 17295-11-3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements