(3aR,6aS)-3,3a,4,6a-Tetrahydro-1-pentalenecarboxylic acid
[CAS# 82131-22-4]

Identification

• Name: (3aR,6aS)-3,3a,4,6a-Tetrahydro-1-pentalenecarboxylic acid
• Synonyms: (3aR,6aS)-3,3a,4,6a-tetrahydropentalene-1-carboxylic acid
• Molecular Formula: C₉H₁₀O₂
• Molecular Weight: 150.17
• CAS Registry Number: 82131-22-4
• SMILES: OC(=O)\C1=C\C[C@H]2C\C=C/[C@@H]12
• InChI: 1S/C9H10O2/c10-9(11)8-5-4-6-2-1-3-7(6)8/h1,3,5-7H,2,4H2,(H,10,11)/t6-,7-/m1/s1
• InChIKey: ZGFZHGADUSYJDR-RNFRBKRXSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 290.704°C at 760 mmHg (Cal.)
• Flash point: 132.196°C (Cal.)