Basic information
- CAS
35451-72-0- Standard SMILES
CC(CO)n1nc(-c2ccccc2)ccc1=O- InChIKey
MLDIBEYATAAUOM-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 2-(1-hydroxy-2-propyl)-6-phenyl-
- IUPAC
- 2-(1-hydroxypropan-2-yl)-6-phenylpyridazin-3-one
Names & synonyms
35451-72-03(2H)-Pyridazinone, 2-(1-hydroxy-2-propyl)-6-phenyl-RefChem:10654502-(1-Hydroxy-2-propyl)-6-phenyl-3(2H)-pyridazinone2-(1-hydroxypropan-2-yl)-6-phenylpyridazin-3(2h)-oneDTXSID80956859
Database identifiers
- CAS
35451-72-0- PubChem CID
- 215319
- DTXSID
DTXSID80956859- Nikkaji
- J78.871F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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