Sorbophenone, E,E-
Basic information
- CAS
57309-79-2- Standard SMILES
C/C=C/C=C/C(=O)c1ccc(OC)cc1O- InChIKey
NWVHMNPNVNFNFQ-VNKDHWASSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- Sorbophenone, E,E-
- IUPAC
- (2E,4E)-1-(2-hydroxy-4-methoxyphenyl)hexa-2,4-dien-1-one
Names & synonyms
Sorbophenone, E,E-NSC178250(2E,4E)-1-(2-hydroxy-4-methoxyphenyl)hexa-2,4-dien-1-oneNSC-178250
Database identifiers
- CAS
57309-79-2- PubChem CID
- 6306151
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
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Compound notes
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