Basic information
- CAS
7472-84-6- Standard SMILES
C=C(c1ccccc1)C(OC(C)=O)C(=O)c1ccccc1- InChIKey
CAMSLRDAFQVKFA-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Names & identifiers
- Preferred name
- (1-Oxo-1,3-diphenylbut-3-en-2-yl) acetate
- IUPAC
- (1-oxo-1,3-diphenylbut-3-en-2-yl) acetate
Names & synonyms
7472-84-6(1-oxo-1,3-diphenylbut-3-en-2-yl) acetateNSC401999DTXSID90322763NSC-4019991-OXO-1,3-DIPHENYLBUT-3-EN-2-YL ACETATE
Database identifiers
- CAS
7472-84-6- PubChem CID
- 344865
- DTXSID
DTXSID90322763
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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