Basic information
- CAS
38397-37-4- Standard SMILES
C/C=C\C(=O)CCC- InChIKey
TXVAOITYBBWKMG-HYXAFXHYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 2-Hepten-4-one, (2Z)-
- IUPAC
- (Z)-hept-2-en-4-one
Names & synonyms
2-Hepten-4-one, (2Z)-cis-Hept-2-en-4-one1RS7CN1HHPcis-2-Hepten-4-oneUNII-1RS7CN1HHP38397-37-4(2Z)-2-Hepten-4-oneSCHEMBL6138662TXVAOITYBBWKMG-HYXAFXHYSA-NDTXSID601378189
Database identifiers
- CAS
38397-37-4- PubChem CID
- 6431043
- DTXSID
DTXSID601378189- UNII
- 1RS7CN1HHP
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 92.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…