3-(4-chlorophenyl)prop-2-ynoic acid; guanidine

Systemtic Name: 3-(4-chlorophenyl)prop-2-ynoic acid; guanidine Openeye Name: 3-(4-chlorophenyl)prop-2-ynoic acid; guanidine CAS Name: 3-(4-chlorophenyl)-2-propynoic acid; guanidine IUPAC Name: 3-(4-chlorophenyl)prop-2-ynoic acid; guanidine Traditional Name: 3-(4-chlorophenyl)propiolic acid; guanidine Formula: C10H10ClN3O2 MolecularWeight: 239.6583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC(=O)O)Cl.C(=N)(N)N

Isomeric SMILES

C1=CC(=CC=C1C#CC(=O)O)Cl.C(=N)(N)N

InChI

InChI=1S/C9H5ClO2.CH5N3/c10-8-4-1-7(2-5-8)3-6-9(11)12;2-1(3)4/h1-2,4-5H,(H,11,12);(H5,2,3,4)