Basic information
- CAS
94213-09-9- Standard SMILES
O=CC1=CC(=C(c2ccccc2)c2ccccc2)C=C1- InChIKey
CKTDGOYGNVYFKB-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Names & identifiers
- Preferred name
- 3-(Diphenylmethylidene)cyclopenta-1,4-diene-1-carbaldehyde
- IUPAC
- 3-benzhydrylidenecyclopenta-1,4-diene-1-carbaldehyde
Names & synonyms
94213-09-93-(diphenylmethylidene)cyclopenta-1,4-diene-1-carbaldehydeNSC120608DTXSID60298108NSC-120608
Database identifiers
- CAS
94213-09-9- PubChem CID
- 274530
- DTXSID
DTXSID60298108
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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