3,5-dihydroxybenzamide

• ChemBase ID: 302090
• Molecular Formular: C7H7NO3
• Molecular Mass: 153.13538
• Monoisotopic Mass: 153.04259309
• SMILES: c1c(cc(cc1O)O)C(=O)N
• Canonical SMILES: NC(=O)c1cc(O)cc(c1)O
• InChI: InChI=1S/C7H7NO3/c8-7(11)4-1-5(9)3-6(10)2-4/h1-3,9-10H,(H2,8,11)
• InChIKey: PLYYMFBDRBSPJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dihydroxybenzamide
• IUPAC Traditional name: 3,5-dihydroxybenzamide
• Synonyms: 3,5-Dihydroxybenzamide; 3,5-二羟基苯甲酰胺

Database IDs

• CAS Number: 3147-62-4
• EC Number: 221-571-4
• MDL Number: MFCD00017123
• Beilstein Number: 2690560

CALCULATED PROPERTIES

• Acid pKa: 8.568848
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.21638717
• LogD (pH = 7.4): 0.18840595
• Log P: 0.21675546
• Molar Refractivity: 39.0982 cm^3
• Polarizability: 14.436119 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 280°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%