(1R,3aR,6aR)-1,2,3,3A,4,6A-Hexahydro-1-Pentalenecarboxylic Acid
[CAS# 171017-43-9]

Identification

• Name: (1R,3aR,6aR)-1,2,3,3A,4,6A-Hexahydro-1-Pentalenecarboxylic Acid
• Synonyms: (1R,3aR,6aR)-1,2,3,3a,4,6a-hexahydropentalene-1-carboxylic acid
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19
• CAS Registry Number: 171017-43-9
• SMILES: C1C[C@H]([C@@H]2[C@H]1CC=C2)C(=O)O
• InChI: 1S/C9H12O2/c10-9(11)8-5-4-6-2-1-3-7(6)8/h1,3,6-8H,2,4-5H2,(H,10,11)/t6-,7-,8+/m0/s1
• InChIKey: CDFVEUNPWQIRQK-BIIVOSGPSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 282.257°C at 760 mmHg (Cal.)
• Flash point: 129.565°C (Cal.)
• Refractive index: 1.546 (Cal.)