Basic information
- CAS
65493-07-4- Standard SMILES
COc1ccc(C=N\C=C/C=C\C=C\C(C)=O)cc1- InChIKey
URUJYFHBUJPPRP-WKKOYMGYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- (3E,5Z,7Z)-8-{(E)-[(4-Methoxyphenyl)methylidene]amino}octa-3,5,7-trien-2-one
- IUPAC
- (3E,5Z,7Z)-8-[(4-methoxyphenyl)methylideneamino]octa-3,5,7-trien-2-one
Names & synonyms
65493-07-4DTXSID70712527NSC298816NSC-298816(3E,5Z,7Z)-8-{(E)-[(4-Methoxyphenyl)methylidene]amino}octa-3,5,7-trien-2-one
Database identifiers
- CAS
65493-07-4- PubChem CID
- 54598652
- DTXSID
DTXSID70712527
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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