1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester
Basic information
- CAS
82232-20-0- Standard SMILES
CCOC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C#N)c1=O- InChIKey
MDJRGGCMPPEHFG-UHFFFAOYSA-N- Molecular formula
- C21H17N3O3
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.12699141
Names & identifiers
- Preferred name
- 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester
- IUPAC
- ethyl 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetate
Names & synonyms
82232-20-01(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl esterNSC362448DTXSID70231647NSC 362448NSC-362448DS-008099Ethyl (5-cyano-6-oxo-3,4-diphenylpyridazin-1(6H)-yl)acetate(5-cyano-3,4-diphenyl-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid ethyl ester
Database identifiers
- CAS
82232-20-0- PubChem CID
- 100756
- DTXSID
DTXSID70231647- Nikkaji
- J66.514B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 689
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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