Basic information
- Standard SMILES
O=C1CC(=O)C2C3C=CC(CC3)C12- InChIKey
AUUVNGLEWGDWNG-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
Names & identifiers
- Preferred name
- rac-(3aR,4S,7R,7aS)-3a,4,7,7a-tetrahydro-4,7-ethanoindene-1,3-dione
- IUPAC
- tricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Names & synonyms
SCHEMBL449523AUUVNGLEWGDWNG-UHFFFAOYSA-NTricyclo [5,2,2,02,6 ] undec-8-ene-3,5dionetricyclo [5,2,2,02,6 ] undec-8-ene-3,5-dionerac-(3aR,4S,7R,7aS)-3a,4,7,7a-tetrahydro-4,7-ethanoindene-1,3-dione
Database identifiers
- PubChem CID
- 53663301
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 286
Related reactions
2 records
Compound notes
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