N-cyclopropyl-2-hydroxybenzamide

• ChemBase ID: 256766
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(c1c(O)cccc1)NC1CC1
• Canonical SMILES: O=C(c1ccccc1O)NC1CC1
• InChI: InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13)
• InChIKey: UWYBOEZQGCFECQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-hydroxybenzamide
• IUPAC Traditional name: N-cyclopropyl-2-hydroxybenzamide
• Synonyms: N-cyclopropyl-2-hydroxybenzamide

Database IDs

• CAS Number: 440111-82-0
• MDL Number: MFCD02934388
• PubChem SID: 164312676
• PubChem CID: 822771

CALCULATED PROPERTIES

• Acid pKa: 8.19098
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8586838
• LogD (pH = 7.4): 1.7949274
• Log P: 1.8595614
• Molar Refractivity: 49.2252 cm^3
• Polarizability: 18.56845 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.837

Product Information

• Purity: 95%