N-formyl-2-hydroxybenzamide

• ChemBase ID: 54162
• Molecular Formular: C8H7NO3
• Molecular Mass: 165.14608
• Monoisotopic Mass: 165.04259309
• SMILES: c1ccc(c(c1)C(=O)NC=O)O
• Canonical SMILES: O=CNC(=O)c1ccccc1O
• InChI: InChI=1S/C8H7NO3/c10-5-9-8(12)6-3-1-2-4-7(6)11/h1-5,11H,(H,9,10,12)
• InChIKey: GNIFQFSQXIJJSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-formyl-2-hydroxybenzamide
• IUPAC Traditional name: N-formyl-2-hydroxybenzamide
• Synonyms: N-Formyl-2-hydroxybenzamide

Database IDs

• MDL Number: MFCD10568307
• PubChem SID: 162058925
• PubChem CID: 12867053

CALCULATED PROPERTIES

• Acid pKa: 7.836488
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.103691
• LogD (pH = 7.4): 0.9688419
• Log P: 1.1102304
• Molar Refractivity: 42.1927 cm^3
• Polarizability: 15.737877 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%+