CID 45096308
Basic information
- CAS
159645-34-8- Standard SMILES
CC(C)[C@]12CC1C(CO)=CC2=O- InChIKey
GFMJTKMWLNEZHB-LHIURRSHSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
Names & identifiers
- Preferred name
- CID 45096308
- IUPAC
- (1R)-4-(hydroxymethyl)-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one
- English name
- Bicyclo[3.1.0]hex-3-en-2-one, 4-(hydroxymethyl)-1-(1-methylethyl)-, (1R)- (9CI)
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
Bicyclo[3.1.0]hex-3-en-2-one, 4-(hydroxymethyl)-1-(1-methylethyl)-, (1R)- (9CI)
Database identifiers
- CAS
159645-34-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 265
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