methyl 5-acetamido-2-hydroxybenzoate

• ChemBase ID: 311516
• Molecular Formular: C10H11NO4
• Molecular Mass: 209.19864
• Monoisotopic Mass: 209.06880784
• SMILES: c1(C(=O)OC)c(ccc(c1)NC(=O)C)O
• Canonical SMILES: COC(=O)c1cc(ccc1O)NC(=O)C
• InChI: InChI=1S/C10H11NO4/c1-6(12)11-7-3-4-9(13)8(5-7)10(14)15-2/h3-5,13H,1-2H3,(H,11,12)
• InChIKey: JOILLVHUXHWRQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-acetamido-2-hydroxybenzoate
• IUPAC Traditional name: methyl 5-acetamido-2-hydroxybenzoate
• Synonyms: methyl 5-(acetylamino)-2-hydroxybenzoate

Database IDs

• CAS Number: 81887-68-5
• MDL Number: MFCD02330782

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5608393
• LogD (pH = 7.4): 1.5586044
• Log P: 1.5608678
• Molar Refractivity: 54.9272 cm^3
• Polarizability: 20.2982 Å^3
• Polar Surface Area: 75.63 Å^2