6-methyl-1H-pyridazin-4-one hexahydrate

Systemtic Name: 6-methyl-1H-pyridazin-4-one hexahydrate Openeye Name: 6-methyl-1H-pyridazin-4-one hexahydrate CAS Name: 6-methyl-1H-pyridazin-4-one hexahydrate IUPAC Name: 6-methyl-1H-pyridazin-4-one hexahydrate Traditional Name: 6-methyl-1H-pyridazin-4-one hexahydrate Formula: C5H18N2O7 MolecularWeight: 218.20562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C=NN1.O.O.O.O.O.O

Isomeric SMILES

CC1=CC(=O)C=NN1.O.O.O.O.O.O

InChI

InChI=1S/C5H6N2O.6H2O/c1-4-2-5(8)3-6-7-4;;;;;;/h2-3H,1H3,(H,7,8);6*1H2