Basic information
- CAS
64882-62-8- Standard SMILES
CCOC(=O)c1cn[nH]c(=O)c1C- InChIKey
NQILQQPWSALHNE-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 4-Pyridazinecarboxylicacid, 1,6-dihydro-5-methyl-6-oxo-, ethyl ester
- IUPAC
- ethyl 5-methyl-6-oxo-1H-pyridazine-4-carboxylate
Names & synonyms
NSC30028664882-62-8SCHEMBL8628868SCHEMBL25343055DTXSID903161674-PYRIDAZINECARBOXYLICACID, 1,6-DIHYDRO-5-METHYL-6-OXO-, ETHYL ESTERNSC-300286DS-015405Ethyl 5-methyl-6-oxo-1,6-dihydropyridazine-4-carboxylate
Database identifiers
- CAS
64882-62-8- PubChem CID
- 327043
- DTXSID
DTXSID90316167
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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