Basic information
- CAS
119405-11-7- Standard SMILES
CC(=O)OC1C2CCC1C1C=CC2C1- InChIKey
MJTJJPZFFCFTAI-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Tricyclo[4.2.1.1(2,5)]dec-3-en-9-ol, acetate, stereoisomer
- IUPAC
- 9-tricyclo[4.2.1.12,5]dec-3-enyl acetate
Names & synonyms
Tricyclo[4.2.1.1(2,5)]dec-3-en-9-ol, acetate, stereoisomer119405-11-7MJTJJPZFFCFTAI-UHFFFAOYSA-NDTXSID301365654
Database identifiers
- CAS
119405-11-7- PubChem CID
- 548694
- DTXSID
DTXSID301365654
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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