4-(2-methylimidazol-1-yl)benzoic acid hydrate hydrochloride

Systemtic Name: 4-(2-methylimidazol-1-yl)benzoic acid hydrate hydrochloride Openeye Name: 4-(2-methylimidazol-1-yl)benzoic acid hydrate hydrochloride CAS Name: 4-(2-methyl-1-imidazolyl)benzoic acid hydrate hydrochloride IUPAC Name: 4-(2-methylimidazol-1-yl)benzoic acid hydrate hydrochloride Traditional Name: 4-(2-methylimidazol-1-yl)benzoic acid hydrate hydrochloride Formula: C11H13ClN2O3 MolecularWeight: 256.68552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)C(=O)O.O.Cl

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)C(=O)O.O.Cl

InChI

InChI=1S/C11H10N2O2.ClH.H2O/c1-8-12-6-7-13(8)10-4-2-9(3-5-10)11(14)15;;/h2-7H,1H3,(H,14,15);1H;1H2