1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-methylphenyl)-5-phenyl-
Basic information
- CAS
96723-21-6- Standard SMILES
Cc1ccccc1-n1nc(C(=O)O)c(C(=O)O)c1-c1ccccc1- InChIKey
HJICZEWJNQJVIW-UHFFFAOYSA-N- Molecular formula
- C18H14N2O4
- Average molar mass
- 322.3 g/mol
- Monoisotopic mass
- 322.09535693
Names & identifiers
- Preferred name
- 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-methylphenyl)-5-phenyl-
- IUPAC
- 1-(2-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid
Names & synonyms
1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-methylphenyl)-5-phenyl-96723-21-6DTXSID402424621-(2-Methylphenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid
Database identifiers
- CAS
96723-21-6- PubChem CID
- 178906
- DTXSID
DTXSID40242462
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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