Basic information
- CAS
3212-77-9- Standard SMILES
O=C1C=CC2CCC1C2- InChIKey
PLUPRDSFMNHWTH-UHFFFAOYSA-N- Molecular formula
- C8H10O
- Average molar mass
- 122.16 g/mol
- Monoisotopic mass
- 122.07316494
Names & identifiers
- Preferred name
- Bicyclo[3.2.1]oct-3-en-2-one
- IUPAC
- bicyclo[3.2.1]oct-3-en-2-one
- English name
- Bicyclo[3.2.1]oct-3-en-2-one
- Molecular formula
- C8H10O
- Molecular weight
- 122.16
Names & synonyms
Bicyclo[3.2.1]oct-3-en-2-oneNSC657805bicyclo[3.2.1]oct-2-en-4-one3212-77-9SCHEMBL1825855SCHEMBL2971598CHEMBL1971744DTXSID40327460AKOS024436853NSC-657805NCI60_020148
Database identifiers
- CAS
3212-77-9- PubChem CID
- 376751
- DTXSID
DTXSID40327460- ChEMBL
CHEMBL1971744
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 76 °C · 76 °C(Press: 7 Torr)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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