Basic information
- CAS
146824-89-7- Standard SMILES
COc1ccc(-n2ccc(=O)c(OC)n2)cc1OC- InChIKey
VEBAFICDNOSQEK-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- 4(1H)-Pyridazinone, 1-(3,4-dimethoxyphenyl)-3-methoxy-
- IUPAC
- 1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one
- English name
- 1-(3,4-Dimethoxyphenyl)-3-methoxy-4(1H)-pyridazinone
- Molecular formula
- C13H14N2O4
- Molecular weight
- 262.26
Names & synonyms
146824-89-71-(3,4-Dimethoxyphenyl)-3-methoxy-4(1H)-pyridazinone4(1H)-Pyridazinone, 1-(3,4-dimethoxyphenyl)-3-methoxy-DTXSID90163517Dimethoxy-3,4 phenyl-1 dihydro-1,4 oxo-4 methoxy-3 pyridazine [French]Dimethoxy-3,4 phenyl-1 dihydro-1,4 oxo-4 methoxy-3 pyridazineRefChem:283486DTXCID00860081-(3,4-Dimethoxyphenyl)-3-methoxypyridazin-4(1H)-one1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-oneSCHEMBL9593765
Database identifiers
- CAS
146824-89-7- PubChem CID
- 3073159
- DTXSID
DTXSID90163517
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Boiling point
- 399.7 · 399.7±52.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- -3.42 · -3.42±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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