Basic information
- CAS
134919-54-3- Standard SMILES
CC(=O)[C@@H]1C[C@@H]2C=CC[C@@H]21- InChIKey
KFXKUZMXJZLBOU-CIUDSAMLSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
Names & identifiers
- Preferred name
- 1-[(1R,5S,6R)-6-bicyclo[3.2.0]hept-2-enyl]ethanone
- IUPAC
- 1-[(1R,5S,6R)-6-bicyclo[3.2.0]hept-2-enyl]ethanone
- English name
- Ethanone, 1-(bicyclo[3.2.0]hept-2-en-6-yl)-, (1alpha,5alpha,6beta)- (9CI)
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
Ethanone, 1-(1R,5S,6R)-bicyclo[3.2.0]hept-2-en-6-yl-, rel-Ethanone, 1-(bicyclo[3.2.0]hept-2-en-6-yl)-, (1alpha,5alpha,6beta)- (9CI)
Database identifiers
- CAS
134919-54-3
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 202.9 · 202.9±39.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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