4-(3,6-dimethylpyrazin-2-yl)benzoic acid

Systemtic Name: 4-(3,6-dimethylpyrazin-2-yl)benzoic acid Openeye Name: 4-(3,6-dimethylpyrazin-2-yl)benzoic acid CAS Name: 4-(3,6-dimethyl-2-pyrazinyl)benzoic acid IUPAC Name: 4-(3,6-dimethylpyrazin-2-yl)benzoic acid Traditional Name: 4-(3,6-dimethylpyrazin-2-yl)benzoic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H12N2O2/c1-8-7-14-9(2)12(15-8)10-3-5-11(6-4-10)13(16)17/h3-7H,1-2H3,(H,16,17)