Basic information
- CAS
34428-29-0- Standard SMILES
O=C1C=CC(=O)C1=Cc1ccccc1- InChIKey
HBMINKZFDAUJGH-UHFFFAOYSA-N- Molecular formula
- C12H8O2
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.05242949
Names & identifiers
- Preferred name
- 2-Benzylidenecyclopent-4-ene-1,3-dione
- IUPAC
- 2-benzylidenecyclopent-4-ene-1,3-dione
Names & synonyms
2-benzylidenecyclopent-4-ene-1,3-dione34428-29-0NSC 268351NSC268351CHEMBL1835076DTXSID80313266NSC-268351
Database identifiers
- CAS
34428-29-0- PubChem CID
- 320485
- DTXSID
DTXSID80313266- ChEMBL
CHEMBL1835076
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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