Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-cyclopentylidene-, (1alpha,5alpha,6alpha)-
Basic information
- CAS
98874-97-6- Standard SMILES
O=C(O)[C@@H]1[C@H]2C=CC(=C3CCCC3)[C@H]21- InChIKey
CMUSMAJKARPBKO-HBNTYKKESA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-cyclopentylidene-, (1alpha,5alpha,6alpha)-
- IUPAC
- (1S,5R,6R)-4-cyclopentylidenebicyclo[3.1.0]hex-2-ene-6-carboxylic acid
Names & synonyms
Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 4-cyclopentylidene-, (1alpha,5alpha,6alpha)-98874-97-6DTXSID70243861(1S,5R,6R)-4-cyclopentylidenebicyclo[3.1.0]hex-2-ene-6-carboxylic acid
Database identifiers
- CAS
98874-97-6- PubChem CID
- 179136
- DTXSID
DTXSID70243861
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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