N,3-dihydroxybenzamide

• ChemBase ID: 260434
• Molecular Formular: C7H7NO3
• Molecular Mass: 153.13538
• Monoisotopic Mass: 153.04259309
• SMILES: C(=O)(c1cc(O)ccc1)NO
• Canonical SMILES: ONC(=O)c1cccc(c1)O
• InChI: InChI=1S/C7H7NO3/c9-6-3-1-2-5(4-6)7(10)8-11/h1-4,9,11H,(H,8,10)
• InChIKey: IRGXGFPSYHAJER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3-dihydroxybenzamide
• IUPAC Traditional name: N,3-dihydroxybenzamide
• Synonyms: N,3-dihydroxybenzamide

Database IDs

• MDL Number: MFCD09941022
• PubChem SID: 164316344
• PubChem CID: 24701909

CALCULATED PROPERTIES

• Acid pKa: 8.702804
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.5168686
• LogD (pH = 7.4): 0.49609846
• Log P: 0.5171391
• Molar Refractivity: 38.8819 cm^3
• Polarizability: 14.448158 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197 - 199°C
• Hydrophobicity(logP): -0.073

Product Information

• Purity: 95%