5-methyl-1,2-oxazol-3-one dihydrate

Systemtic Name: 5-methyl-1,2-oxazol-3-one dihydrate Openeye Name: 5-methylisoxazol-3-one dihydrate CAS Name: 5-methyl-3-isoxazolone dihydrate IUPAC Name: 5-methyl-1,2-oxazol-3-one dihydrate Traditional Name: 5-methyl-4-isoxazolin-3-one dihydrate Formula: C4H9NO4 MolecularWeight: 135.11856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NO1.O.O

Isomeric SMILES

CC1=CC(=O)NO1.O.O

InChI

InChI=1S/C4H5NO2.2H2O/c1-3-2-4(6)5-7-3;;/h2H,1H3,(H,5,6);2*1H2