N-cyclopropyl-3-hydroxybenzamide

• ChemBase ID: 259722
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(NC1CC1)c1cc(O)ccc1
• Canonical SMILES: Oc1cccc(c1)C(=O)NC1CC1
• InChI: InChI=1S/C10H11NO2/c12-9-3-1-2-7(6-9)10(13)11-8-4-5-8/h1-3,6,8,12H,4-5H2,(H,11,13)
• InChIKey: RARPTIBEFUNWRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-hydroxybenzamide
• IUPAC Traditional name: N-cyclopropyl-3-hydroxybenzamide
• Synonyms: N-cyclopropyl-3-hydroxybenzamide

Database IDs

• MDL Number: MFCD11130687
• PubChem SID: 164315632
• PubChem CID: 28390689

CALCULATED PROPERTIES

• Acid pKa: 8.824541
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2093568
• LogD (pH = 7.4): 1.1936272
• Log P: 1.2095613
• Molar Refractivity: 49.2252 cm^3
• Polarizability: 18.566454 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 0.887

Product Information

• Purity: 95%