4-(2-Cyanophenyl)Benzoic Acid
[CAS# 5728-44-9]

Identification

• Name: 4-(2-Cyanophenyl)Benzoic Acid
• Synonyms: 4-[[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Amino]Benzoic Acid; 4-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Amino]Benzoic Acid
• Molecular Formula: C₁₂H₁₅NO₆
• Molecular Weight: 269.25
• CAS Registry Number: 5728-44-9
• SMILES: [C@@H]1([C@H](OC[C@H]([C@@H]1O)O)NC2=CC=C(C(=O)O)C=C2)O
• InChI: 1S/C12H15NO6/c14-8-5-19-11(10(16)9(8)15)13-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)/t8-,9+,10-,11+/m1/s1
• InChIKey: HLDUHCYBUVVDOT-YTWAJWBKSA-N

Properties

• Density: 1.623g/cm³ (Cal.)
• Boiling point: 569.198°C at 760 mmHg (Cal.)
• Flash point: 298.04°C (Cal.)