ethenone

• ChemBase ID: 127318
• Molecular Formular: C2H2O
• Molecular Mass: 42.03668
• Monoisotopic Mass: 42.01056468
• SMILES: O=C=C
• Canonical SMILES: C=C=O
• InChI: InChI=1S/C2H2O/c1-2-3/h1H2
• InChIKey: CCGKOQOJPYTBIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenone
• IUPAC Systematic name: Ethenone
• IUPAC Traditional name: ketene
• Synonyms: Ketene; Ethenone

Database IDs

• CAS Number: 463-51-4
• PubChem SID: 162221639
• PubChem CID: 10038
• CHEBI ID: 48003
• Chemspider ID: 9643
• Wikipedia Title: Ethenone

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2119
• LogD (pH = 7.4): 0.2119
• Log P: 0.2119
• Molar Refractivity: 9.1308 cm^3
• Polarizability: 3.9567683 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless gas
• Melting Point: -150.5 °C (-239 °F)
• Boiling Point: -56.1 °C (-69 °F)

Safety Information

• Safety Statements: R