5-(aminomethyl)-1,2-oxazol-3-one dihydrate

Systemtic Name: 5-(aminomethyl)-1,2-oxazol-3-one dihydrate Openeye Name: 5-(aminomethyl)isoxazol-3-one dihydrate CAS Name: 5-(aminomethyl)-3-isoxazolone dihydrate IUPAC Name: 5-(aminomethyl)-1,2-oxazol-3-one dihydrate Traditional Name: 5-(aminomethyl)-4-isoxazolin-3-one dihydrate Formula: C8H16N4O6 MolecularWeight: 264.23584

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(ONC1=O)CN.C1=C(ONC1=O)CN.O.O

Isomeric SMILES

C1=C(ONC1=O)CN.C1=C(ONC1=O)CN.O.O

InChI

InChI=1S/2C4H6N2O2.2H2O/c2*5-2-3-1-4(7)6-8-3;;/h2*1H,2,5H2,(H,6,7);2*1H2