1-Phenyl-3-Adamantanecarboxylic acid
[CAS# 37589-22-3]

Identification

• Name: 1-Phenyl-3-Adamantanecarboxylic acid
• Synonyms: (5S,7R)-3-Phenyl-1-Adamantanecarboxylate; Zinc03864767; Zinc03864768
• Molecular Formula: C₁₇H₁₉O₂
• Molecular Weight: 255.34
• CAS Registry Number: 37589-22-3
• SMILES: [C@H]13CC2(CC(C1)(C[C@@H](C2)C3)C([O-])=O)C4=CC=CC=C4
• InChI: 1S/C17H20O2/c18-15(19)17-9-12-6-13(10-17)8-16(7-12,11-17)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,18,19)/p-1/t12-,13+,16?,17?
• InChIKey: APWLCUAAISKVPI-ZPVISIIKSA-M

Properties

• Boiling point: 408.838°C at 760 mmHg (Cal.)
• Flash point: 190.051°C (Cal.)