N-hydroxycyclopropanecarboxamide

• ChemBase ID: 286221
• Molecular Formular: C4H7NO2
• Molecular Mass: 101.10388
• Monoisotopic Mass: 101.04767847
• SMILES: C1(C(=O)NO)CC1
• Canonical SMILES: ONC(=O)C1CC1
• InChI: InChI=1S/C4H7NO2/c6-4(5-7)3-1-2-3/h3,7H,1-2H2,(H,5,6)
• InChIKey: VIHDBAIWGYSTFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxycyclopropanecarboxamide
• IUPAC Traditional name: N-hydroxycyclopropanecarboxamide
• Synonyms: N-hydroxycyclopropanecarboxamide

Database IDs

• MDL Number: MFCD09937478
• PubChem SID: 180671752
• PubChem CID: 9989224

CALCULATED PROPERTIES

• Acid pKa: 8.872644
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.25385708
• LogD (pH = 7.4): -0.26799083
• Log P: -0.25367382
• Molar Refractivity: 23.6297 cm^3
• Polarizability: 9.2818985 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): -1.01

Product Information

• Purity: 95%