2-hydroxy-3-methoxybenzamide

• ChemBase ID: 239725
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: c1(c(c(OC)ccc1)O)C(=O)N
• Canonical SMILES: COc1cccc(c1O)C(=O)N
• InChI: InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)10)8(9)11/h2-4,10H,1H3,(H2,9,11)
• InChIKey: DPIPILRTESRLHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-3-methoxybenzamide
• IUPAC Traditional name: 2-hydroxy-3-methoxybenzamide
• Synonyms: 2-hydroxy-3-methoxybenzamide

Database IDs

• CAS Number: 26751-04-2
• MDL Number: MFCD06357904
• PubChem SID: 164295635
• PubChem CID: 2512772

CALCULATED PROPERTIES

• Acid pKa: 8.750384
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0124075
• LogD (pH = 7.4): 0.99384224
• Log P: 1.0126495
• Molar Refractivity: 43.5805 cm^3
• Polarizability: 16.331945 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 1.088

Product Information

• Purity: 95%