3-Cyclopenta-1,4-dien-1-ylbutan-2-one
Basic information
- CAS
96302-27-1- Standard SMILES
CC(=O)C(C)C1=CCC=C1- InChIKey
NDKNBUYTPHEDSJ-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
Names & identifiers
- Preferred name
- 3-Cyclopenta-1,4-dien-1-ylbutan-2-one
- IUPAC
- 3-cyclopenta-1,4-dien-1-ylbutan-2-one
- English name
- 2-Butanone, 3-(1,4-cyclopentadien-1-yl)- (9CI)
- Molecular formula
- C9H12O
- Molecular weight
- 136.19098
Names & synonyms
3-cyclopenta-1,4-dien-1-ylbutan-2-one2-Butanone, 3-(1,4-cyclopentadien-1-yl)- (9CI)
Database identifiers
- CAS
96302-27-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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