Basic information
- CAS
35825-94-6- Standard SMILES
CC(=O)OC1C2C3C2C2C1C32- InChIKey
NOBNSZMIUHKZAT-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Names & identifiers
- Preferred name
- 3-Tetracyclo[3.2.0.02,7.04,6]heptanyl acetate
- IUPAC
- 3-tetracyclo[3.2.0.02,7.04,6]heptanyl acetate
Names & synonyms
NSC24920735825-94-63-Tetracyclo[3.2.0.02,7.04,6]heptanyl acetateDTXSID20330351NSC-249207Tetracyclo[3.2.0.0~2,7~.0~4,6~]heptan-3-yl acetate
Database identifiers
- CAS
35825-94-6- PubChem CID
- 429145
- DTXSID
DTXSID20330351
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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