Methyl 2-hydroxy-6-methoxybenzoate

HCID 527092

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Basic information

CAS: 22833-69-8
Standard SMILES: COC(=O)c1c(O)cccc1OC
InChIKey: YRJIMTHQIPOSJR-UHFFFAOYSA-N
Molecular formula: C9H10O4
Average molar mass: 182.17 g/mol
Monoisotopic mass: 182.0579088

Overview

Methyl 2-hydroxy-6-methoxybenzoate has been reported in Securidaca longepedunculata with data available.

Names & identifiers

Preferred name: Methyl 2-hydroxy-6-methoxybenzoate
IUPAC: methyl 2-hydroxy-6-methoxybenzoate
English name: Methyl 2-hydroxy-6-methoxybenzoate
Molecular formula: C9H10O4
Molecular weight: 182.17

Names & synonyms

Methyl 2-hydroxy-6-methoxybenzoate22833-69-8Benzoic acid, 2-hydroxy-6-methoxy-, methyl ester2-HYDROXY-6-METHOXYBENZOIC ACID METHYL ESTERMethyl 6-hydroxy-o-anisateDTXSID30335771o-Anisic acid, 6-hydroxy-, methyl esterRefChem:157344DTXCID80286860Methyl 2-hydroxy-6-methoxybenzoic acidYRJIMTHQIPOSJR-UHFFFAOYSA-Nmethyl 6-methoxysalicylate

Show more names

MFCD062042642-Hydroxy-6-methoxy benzoic acid methyl esterSCHEMBL1339134SCHEMBL6237235CHEMBL2252248Methyl2-hydroxy-6-methoxybenzoateALBB-032197methyl 2-hydroxy-6-methoxy-benzoate

Database identifiers

CAS: 22833-69-8
PubChem CID: 527092
DTXSID: DTXSID30335771
ChEMBL: CHEMBL2252248
Nikkaji: J626.766A

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Physicochemical properties

Melting point: 50 · 50-52 °C
Boiling point: 134 · 134-138 °C(Press: 9 Torr)
Density: 1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 9.38 · 9.38±0.10(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313