Basic information
- CAS
90836-38-7- Standard SMILES
CC1=NN(C(=O)c2ccccc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1- InChIKey
IPPQZGHNYYDCMK-UHFFFAOYSA-N- Molecular formula
- C18H14N4O4
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.10150494
Names & identifiers
- Preferred name
- 4-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid
- IUPAC
- 4-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid
Names & synonyms
90836-38-7NSC3563644-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acidDTXSID80320213NSC-3563644-[(E)-(1-Benzoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid
Database identifiers
- CAS
90836-38-7- PubChem CID
- 337633
- DTXSID
DTXSID80320213
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…