Basic information
- CAS
91254-62-5- Standard SMILES
O=C(O)C(=O)/C=C/C=C(\O)c1ccc(Cl)cc1- InChIKey
BKVFPMUIZMNOHF-UHFFFAOYSA-N- Molecular formula
- C12H9ClO4
- Average molar mass
- 252.65 g/mol
- Monoisotopic mass
- 252.0189365
Names & identifiers
- Preferred name
- Hoo(4-CB)hda
- IUPAC
- (3E,5Z)-6-(4-chlorophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid
- English name
- 2-hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid
- Molecular formula
- C12H9ClO4
- Molecular weight
- 252.65
Names & synonyms
Hoo(4-CB)hda(3E,5Z)-6-(4-chlorophenyl)-6-hydroxy-2-oxo-hexa-3,5-dienoic acidRefChem:10483162-Hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid91254-62-5C065872,4-Hexadienoic acid, 6-(4-chlorophenyl)-2-hydroxy-6-oxo-AC1NQXTM2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate(3E,5Z)-6-(4-chlorophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid
Database identifiers
- CAS
91254-62-5- PubChem CID
- 5280968
- Nikkaji
- J1.319.315K、J2.762.473A、J403.764B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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