Basic information
- Standard SMILES
CC(=O)OC1CCC2C(C=O)CCC12- InChIKey
DSZGRQPWBMFUAR-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 6-Acetoxy-2-formylbicyclo[3,3,0]octane
- IUPAC
- (4-formyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl) acetate
Names & synonyms
SCHEMBL10982047DSZGRQPWBMFUAR-UHFFFAOYSA-N6-acetoxy-2-formylbicyclo[3,3,0]octane
Database identifiers
- PubChem CID
- 20397191
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Related reactions
6 records
Compound notes
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