cyclopropanone

• ChemBase ID: 126818
• Molecular Formular: C3H4O
• Molecular Mass: 56.06326
• Monoisotopic Mass: 56.02621475
• SMILES: O=C1CC1
• Canonical SMILES: O=C1CC1
• InChI: InChI=1S/C3H4O/c4-3-1-2-3/h1-2H2
• InChIKey: VBBRYJMZLIYUJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropanone
• IUPAC Traditional name: cyclopropanone
• Synonyms: Cyclopropanone

Database IDs

• CAS Number: 5009-27-8
• PubChem SID: 162221145
• PubChem CID: 138404
• Chemspider ID: 122027
• Wikipedia Title: Cyclopropanone

CALCULATED PROPERTIES

• Acid pKa: 17.20713
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.15448827
• LogD (pH = 7.4): 0.15448827
• Log P: 0.15448827
• Molar Refractivity: 14.4444 cm^3
• Polarizability: 5.6125526 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -90 °C
• Boiling Point: 50–53 °C at 22 mmHg
• Density: 0.867 g/mL at 25 °C