6-Methoxy-2-phenacyloxy-3(2H)-pyridazinone
Basic information
- CAS
5004-19-3- Standard SMILES
COc1ccc(=O)n(OCC(=O)c2ccccc2)n1- InChIKey
RWBHOGWKCNIFQI-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- 6-Methoxy-2-phenacyloxy-3(2H)-pyridazinone
- IUPAC
- 6-methoxy-2-phenacyloxypyridazin-3-one
Names & synonyms
6-Methoxy-2-phenacyloxy-3(2H)-pyridazinone5004-19-3RWBHOGWKCNIFQI-UHFFFAOYSA-NDTXSID7013667236-Methoxy-2-(2-oxo-2-phenylethoxy)-3(2H)-pyridazinone #
Database identifiers
- CAS
5004-19-3- PubChem CID
- 569880
- DTXSID
DTXSID701366723- Nikkaji
- J1.427.362J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
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Compound notes
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