Basic information
- CAS
72727-67-4- Standard SMILES
CC(=O)C(C)=CC1CC2CCC1C2- InChIKey
SVXXTRPQQQPJMI-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 3-Buten-2-one, 4-bicyclo[2.2.1]hept-2-yl-3-methyl-
- IUPAC
- 4-(2-bicyclo[2.2.1]heptanyl)-3-methylbut-3-en-2-one
Names & synonyms
3-Buten-2-one, 4-bicyclo[2.2.1]hept-2-yl-3-methyl-72727-67-4SCHEMBL32688585DTXSID10888179SVXXTRPQQQPJMI-UHFFFAOYSA-NNS000636164-(Bicyclo[2.2.1]heptan-2-yl)-3-methylbut-3-en-2-one
Database identifiers
- CAS
72727-67-4- PubChem CID
- 175131
- DTXSID
DTXSID10888179- EC Number
- 276-800-0
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 252
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Buten-2-one, 4-bicyclo[2.2.1]hept-2-yl-3-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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