1,2-Butadienone, 3-methyl-
Basic information
- CAS
63364-70-5- Standard SMILES
CC(C)=C=C=O- InChIKey
CULFHGAEORKRLD-UHFFFAOYSA-N- Molecular formula
- C5H6O
- Average molar mass
- 82.1 g/mol
- Monoisotopic mass
- 82.04186481
Names & identifiers
- Preferred name
- 1,2-Butadienone, 3-methyl-
- IUPAC
- 3-methylbuta-1,2-dien-1-one
Names & synonyms
1,2-Butadienone, 3-methyl-63364-70-5DTXSID00212762RefChem:215738DTXCID301352533-methylbuta-1,2-dien-1-oneSCHEMBL7531403
Database identifiers
- CAS
63364-70-5- PubChem CID
- 143992
- DTXSID
DTXSID00212762- Nikkaji
- J1.488.507B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 108
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Compound notes
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