(Z)-2-methyl-4-oxopent-2-enal
Basic information
- CAS
104613-83-4- Standard SMILES
CC(=O)/C=C(/C)C=O- InChIKey
PFLPZDBOPDYOJU-HYXAFXHYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Names & identifiers
- Preferred name
- (Z)-2-methyl-4-oxopent-2-enal
- IUPAC
- (Z)-2-methyl-4-oxopent-2-enal
- English name
- 2-Pentenal, 2-methyl-4-oxo-, (Z)- (9CI)
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
104613-83-4(Z)-2-methyl-4-oxopent-2-enal2-Pentenal, 2-methyl-4-oxo-, (Z)-2-Pentenal, 2-methyl-4-oxo-, (Z)- (9CI)
Database identifiers
- CAS
104613-83-4- PubChem CID
- 6442907
- Nikkaji
- J1.937.451C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 133
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Compound notes
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