3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid hydrate

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid hydrate Openeye Name: 3-(3,5-dimethylisoxazol-4-yl)propanoic acid hydrate CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)propanoic acid hydrate IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid hydrate Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propionic acid hydrate Formula: C8H13NO4 MolecularWeight: 187.19312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)O.O

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)O.O

InChI

InChI=1S/C8H11NO3.H2O/c1-5-7(3-4-8(10)11)6(2)12-9-5;/h3-4H2,1-2H3,(H,10,11);1H2