3-(2-methylimidazol-1-yl)propanoic acid hydrate

Systemtic Name: 3-(2-methylimidazol-1-yl)propanoic acid hydrate Openeye Name: 3-(2-methylimidazol-1-yl)propanoic acid hydrate CAS Name: 3-(2-methyl-1-imidazolyl)propanoic acid hydrate IUPAC Name: 3-(2-methylimidazol-1-yl)propanoic acid hydrate Traditional Name: 3-(2-methylimidazol-1-yl)propionic acid hydrate Formula: C7H12N2O3 MolecularWeight: 172.18178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC(=O)O.O

Isomeric SMILES

CC1=NC=CN1CCC(=O)O.O

InChI

InChI=1S/C7H10N2O2.H2O/c1-6-8-3-5-9(6)4-2-7(10)11;/h3,5H,2,4H2,1H3,(H,10,11);1H2