4-(4-Guanidinobenzoyloxy)phenylacetic acid
[CAS# 71079-09-9]

Identification

• Name: 4-(4-Guanidinobenzoyloxy)phenylacetic acid
• Synonyms: Methanesulfonic Acid; 2-[4-[4-(Diaminomethylideneamino)Phenyl]Carbonyloxyphenyl]Ethanoic Acid; Methanesulfonic Acid; 2-[4-(4-Guanidinobenzoyl)Oxyphenyl]Acetic Acid; Methanesulfonic Acid; 2-[4-[(4-Guanidinophenyl)-Oxomethoxy]Phenyl]Acetic Acid
• Molecular Formula: C₁₇H₁₉N₃O₇S
• Molecular Weight: 409.41
• CAS Registry Number: 71079-09-9
• SMILES: C[S](O)(=O)=O.C1=C(CC(O)=O)C=CC(=C1)OC(=O)C2=CC=C(N=C(N)N)C=C2
• InChI: 1S/C16H15N3O4.CH4O3S/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21;1-5(2,3)4/h1-8H,9H2,(H,20,21)(H4,17,18,19);1H3,(H,2,3,4)
• InChIKey: JXMOPIDYHUYOED-UHFFFAOYSA-N

Properties

• Boiling point: 592.6°C at 760 mmHg (Cal.)
• Flash point: 312.2°C (Cal.)