Basic information
- Standard SMILES
O=C(O)C/C=C/c1ccc(-c2ccc(=O)[nH]n2)cc1- InChIKey
JEVRVBCLSOOOFB-OWOJBTEDSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
Names & identifiers
- Preferred name
- (E)-4-(4-(2,3-dihydro-3-oxo-6-pyridazinyl)phenyl)-3-butenoic acid
- IUPAC
- (E)-4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]but-3-enoic acid
Names & synonyms
SCHEMBL8828236JEVRVBCLSOOOFB-OWOJBTEDSA-N(E)-4-(4-(2,3-dihydro-3-oxo-6-pyridazinyl)phenyl)-3-butenoic acid
Database identifiers
- PubChem CID
- 15045338
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 444
Related reactions
3 records
Compound notes
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