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Basic information
- Standard SMILES
Cc1c(-c2ccccc2)nn(CC(=O)O)c(=O)c1C#N- InChIKey
HPQMZLSCYDGZJW-UHFFFAOYSA-N- Molecular formula
- C14H11N3O3
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.08004122
Names & identifiers
- Preferred name
- 2-(5-Cyano-4-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid
- IUPAC
- 2-(5-cyano-4-methyl-6-oxo-3-phenylpyridazin-1-yl)acetic acid
Names & synonyms
NSC608602NSC-608602
Database identifiers
- PubChem CID
- 355274
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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