(5S,7R)-3-(4-Methoxyphenyl)Adamantane-1-Carboxylic Acid
[CAS# 56531-56-7]

Identification

• Name: (5S,7R)-3-(4-Methoxyphenyl)Adamantane-1-Carboxylic Acid
• Synonyms: (5S,7R)-3-(4-Methoxyphenyl)-1-Adamantanecarboxylate; Zinc04218484; Zinc04218485
• Molecular Formula: C₁₈H₂₁O₃
• Molecular Weight: 285.36
• CAS Registry Number: 56531-56-7
• SMILES: [C@H]13CC2(CC(C1)(C[C@@H](C2)C3)C([O-])=O)C4=CC=C(OC)C=C4
• InChI: 1S/C18H22O3/c1-21-15-4-2-14(3-5-15)17-7-12-6-13(8-17)10-18(9-12,11-17)16(19)20/h2-5,12-13H,6-11H2,1H3,(H,19,20)/p-1/t12-,13+,17?,18?
• InChIKey: WFABACNPVFIEPX-NLKGSNSHSA-M

Properties

• Boiling point: 441.679°C at 760 mmHg (Cal.)
• Flash point: 159.956°C (Cal.)