Basic information
- CAS
32425-60-8- Standard SMILES
O=C(O)C1=NN(c2ccccc2)C(=O)\C1=C/C=C/C=C/c1c(C(=O)O)[nH]n(-c2ccccc2)c1=O- InChIKey
BSXUHPFXAMKAFB-UFRBDIPQSA-N- Molecular formula
- C25H18N4O6
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 470.12263431
Names & identifiers
- Preferred name
- 4-(5-(3-Carboxy-5-hydroxy-1-phenyl-1H-pyrazol-4-yl)penta-2,4-dienylidene)-4,5-dihydroxy-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- (4Z)-4-[(2E,4E)-5-(5-carboxy-3-oxo-2-phenyl-1H-pyrazol-4-yl)penta-2,4-dienylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid
Names & synonyms
32425-60-8EINECS 251-030-84-(5-(3-Carboxy-5-hydroxy-1-phenyl-1H-pyrazol-4-yl)penta-2,4-dienylidene)-4,5-dihydroxy-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid
Database identifiers
- CAS
32425-60-8- PubChem CID
- 5486754
- EC Number
- 251-030-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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