2,6-dihydroxybenzamide

• ChemBase ID: 302085
• Molecular Formular: C7H7NO3
• Molecular Mass: 153.13538
• Monoisotopic Mass: 153.04259309
• SMILES: c1cc(c(c(c1)O)C(=O)N)O
• Canonical SMILES: NC(=O)c1c(O)cccc1O
• InChI: InChI=1S/C7H7NO3/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3,9-10H,(H2,8,11)
• InChIKey: WFIWHFWPQQSJDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dihydroxybenzamide
• IUPAC Traditional name: G-resorcylamide
• Synonyms: 2,6-Dihydroxybenzamide; 2,6-二羟基苯甲酰胺

Database IDs

• CAS Number: 3147-50-0
• EC Number: 221-568-8
• MDL Number: MFCD00017125
• Beilstein Number: 2937308

CALCULATED PROPERTIES

• Acid pKa: 8.060733
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.5155716
• LogD (pH = 7.4): 1.4308373
• Log P: 1.5167555
• Molar Refractivity: 39.0982 cm^3
• Polarizability: 14.439876 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 210°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• 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%