Basic information
- CAS
6268-90-2- Standard SMILES
CC(=O)C=CC1C2C=CC(C2)C1C- InChIKey
YUGCMCNBXRSJKU-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-
- IUPAC
- 4-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)but-3-en-2-one
Names & synonyms
DTXSID208842433-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-3-Buten-2-one, 4-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-NSC 34657RefChem:499460DTXCID2010236976268-90-2YUGCMCNBXRSJKU-UHFFFAOYSA-N4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)but-3-en-2-one
Database identifiers
- CAS
6268-90-2- PubChem CID
- 97755
- DTXSID
DTXSID20884243
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 275
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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