1-[(2-Methylphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
Basic information
- CAS
926244-12-4- Standard SMILES
Cc1ccccc1CN1N=C(C(=O)O)CCC1=O- InChIKey
MYWDKIRSYBIEQT-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 1-[(2-Methylphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
- IUPAC
- 1-[(2-methylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Names & synonyms
1-[(2-methylphenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acidDTXSID101135540AKOS000126036926244-12-41,4,5,6-Tetrahydro-1-[(2-methylphenyl)methyl]-6-oxo-3-pyridazinecarboxylic acid
Database identifiers
- CAS
926244-12-4- PubChem CID
- 16769764
- DTXSID
DTXSID101135540
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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