Basic information
- CAS
144686-75-9- Standard SMILES
CC(=O)[C@H]1[C@@H](CC#N)C1(C)C- InChIKey
LWICIOXNAKBJDE-SFYZADRCSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
Names & identifiers
- Preferred name
- Cyclopropaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1R-cis)-(9CI)
- IUPAC
- 2-[(1R,3S)-3-acetyl-2,2-dimethylcyclopropyl]acetonitrile
- English name
- Cyclopropaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI)
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
144686-75-9Cyclopropaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI)2-[(1R,3S)-3-acetyl-2,2-dimethylcyclopropyl]acetonitrile
Database identifiers
- CAS
144686-75-9
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 252.9 · 252.9±13.0 °C(Predicted)
- Density
- 0.982 · 0.982±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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