2-hydroxy-N-methylbenzamide

• ChemBase ID: 120539
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1(C(=O)NC)c(O)cccc1
• Canonical SMILES: CNC(=O)c1ccccc1O
• InChI: InChI=1S/C8H9NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11)
• InChIKey: BCKXMQIYWWTZDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-methylbenzamide
• IUPAC Traditional name: salicylamide, N-methyl-
• Synonyms: 2-hydroxy-N-methylbenzamide

Database IDs

• CAS Number: 1862-88-0
• MDL Number: MFCD00045757
• PubChem SID: 162214892
• PubChem CID: 74624

CALCULATED PROPERTIES

• Acid pKa: 8.196379
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3931302
• LogD (pH = 7.4): 1.3301041
• Log P: 1.3939968
• Molar Refractivity: 42.014 cm^3
• Polarizability: 15.617159 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 1.483

Product Information

• Purity: 95%