4-(6-Oxo-1,4,5,6-tetrahydropyridazin-3-yl)benzyl alcohol
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Basic information
- Standard SMILES
O=C1CCC(c2ccc(CO)cc2)=NN1- InChIKey
NVFQDHCDTUQQOI-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 4-(6-Oxo-1,4,5,6-tetrahydropyridazin-3-yl)benzyl alcohol
- IUPAC
- 3-[4-(hydroxymethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
Names & synonyms
SCHEMBL7312349NVFQDHCDTUQQOI-UHFFFAOYSA-N4-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)benzyl alcohol
Database identifiers
- PubChem CID
- 10219880
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
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Related reactions
1 records
Compound notes
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