Basic information
- CAS
87497-30-1- Standard SMILES
CC(=O)C(=C/C=C/c1ccccc1)C(C)=O- InChIKey
MNVJZMVQXQFONB-RMKNXTFCSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- 3-[(2E)-3-phenylprop-2-en-1-ylidene]pentane-2,4-dione
- IUPAC
- 3-[(E)-3-phenylprop-2-enylidene]pentane-2,4-dione
Names & synonyms
87497-30-13-[(2E)-3-phenylprop-2-en-1-ylidene]pentane-2,4-dioneNSC3436373-[(E)-3-phenylprop-2-enylidene]pentane-2,4-dione(E)-3-(3-Phenylallylidene)pentane-2,4-dioneCHEMBL3220296SCHEMBL10944453DTXSID90415301AKOS001700281NSC-34363712A-102SR-01000089382
Show more names
SR-01000089382-13-[(2e)-3-phenylprop-2-en-1ylidene]pentane-2,4-dione
Database identifiers
- CAS
87497-30-1- PubChem CID
- 5285331
- DTXSID
DTXSID90415301- ChEMBL
CHEMBL3220296- Nikkaji
- J2.690.119G、J2.713.819E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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