methyl 2-(2-hydroxyphenyl)acetate

• ChemBase ID: 277995
• Molecular Formular: C9H10O3
• Molecular Mass: 166.1739
• Monoisotopic Mass: 166.06299418
• SMILES: C(=O)(Cc1c(O)cccc1)OC
• Canonical SMILES: COC(=O)Cc1ccccc1O
• InChI: InChI=1S/C9H10O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3
• InChIKey: BVBSGGBDFJUSIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(2-hydroxyphenyl)acetate
• IUPAC Traditional name: methyl 2-(2-hydroxyphenyl)acetate
• Synonyms: methyl 2-(2-hydroxyphenyl)acetate

Database IDs

• MDL Number: MFCD00090077
• PubChem SID: 164333905
• PubChem CID: 89719

CALCULATED PROPERTIES

• Acid pKa: 9.275537
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4532504
• LogD (pH = 7.4): 1.4476116
• Log P: 1.4533229
• Molar Refractivity: 44.1156 cm^3
• Polarizability: 17.229048 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 1.103

Product Information

• Purity: 95%