2-(3-phenylpyrazol-1-yl)ethanoic acid; propane

Systemtic Name: 2-(3-phenylpyrazol-1-yl)ethanoic acid; propane Openeye Name: 2-(3-phenylpyrazol-1-yl)acetic acid; propane CAS Name: 2-(3-phenyl-1-pyrazolyl)acetic acid; propane IUPAC Name: 2-(3-phenylpyrazol-1-yl)acetic acid; propane Traditional Name: n-propane; 2-(3-phenylpyrazol-1-yl)acetic acid Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC=C(C=C1)C2=NN(C=C2)CC(=O)O

Isomeric SMILES

CCC.C1=CC=C(C=C1)C2=NN(C=C2)CC(=O)O

InChI

InChI=1S/C11H10N2O2.C3H8/c14-11(15)8-13-7-6-10(12-13)9-4-2-1-3-5-9;1-3-2/h1-7H,8H2,(H,14,15);3H2,1-2H3