Basic information
- CAS
59990-76-0- Standard SMILES
C=Cc1ccc(CCC(=O)CC(C)=O)cc1- InChIKey
ZDAZQRDCCZDUSN-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- 6-(4-Ethenylphenyl)hexane-2,4-dione
- IUPAC
- 6-(4-ethenylphenyl)hexane-2,4-dione
Names & synonyms
59990-76-06-(4-Ethenylphenyl)hexane-2,4-dione6-(4-vinylphenyl)-2,4-hexanedioneSCHEMBL363995DTXSID70629126ZDAZQRDCCZDUSN-UHFFFAOYSA-N6-(4-Ethenylphenyl)-2,4-hexanedioneDB-169302
Database identifiers
- CAS
59990-76-0- PubChem CID
- 22939728
- DTXSID
DTXSID70629126- Nikkaji
- J1.980.386D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
4 records
Compound notes
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