1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-
Basic information
- CAS
82232-21-1- Standard SMILES
N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O- InChIKey
YHGCWBRBAPIPDG-UHFFFAOYSA-N- Molecular formula
- C19H13N3O3
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 331.09569129
Names & identifiers
- Preferred name
- 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-
- IUPAC
- 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetic acid
Names & synonyms
82232-21-11(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-NSC362449NSC-3624492-(5-Cyano-6-oxo-3,4-diphenylpyridazin-1(6H)-yl)acetic acid2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetic acidNSC 362449(5-Cyano-6-oxo-3,4-diphenyl-1(6H)-pyridazinyl)acetic acidJY83W94H9RSCHEMBL10984485DTXSID30231648PD-033
Show more names
1(6H)-Pyridazineacetic acid,4-diphenyl-2-(5-cyano-6-oxo-3,4-diphenyl-pyridazin-1-yl)acetic acid5-Cyano-6-oxo-3,4-diphenyl-1(6H)-pyridazineacetic acid(5-Cyano-6-oxo-3,4-diphenylpyridazin-1(6H)-yl)acetic acid2-(5-Cyano-6-oxo-3,4-diphenylpyridazin-1(6H)-yl)aceticacid
Database identifiers
- CAS
82232-21-1- PubChem CID
- 100757
- DTXSID
DTXSID30231648- UNII
- JY83W94H9R
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 659
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Compound notes
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