Basic information
- Standard SMILES
Cc1ccc(C(=O)O)cc1-c1ccnnc1- InChIKey
KLOKJHPMDCFBRX-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-3-(pyridazin-4-yl)benzoic acid
- IUPAC
- 4-methyl-3-pyridazin-4-ylbenzoic acid
Names & synonyms
4-methyl-3-(pyridazin-4-yl)benzoic acidSCHEMBL667415KLOKJHPMDCFBRX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66764009
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
3 records
Compound notes
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