(3aS,6aR)-3,3a,6,6a-Tetrahydro-1-pentalenecarboxylic acid
[CAS# 82131-21-3]

Identification

• Name: (3aS,6aR)-3,3a,6,6a-Tetrahydro-1-pentalenecarboxylic acid
• Synonyms: (3aS,6aR)-3,3a,6,6a-tetrahydropentalene-1-carboxylic acid
• Molecular Formula: C₉H₁₀O₂
• Molecular Weight: 150.17
• CAS Registry Number: 82131-21-3
• SMILES: OC(=O)\C1=C\C[C@H]2/C=C\C[C@@H]12
• InChI: 1S/C9H10O2/c10-9(11)8-5-4-6-2-1-3-7(6)8/h1-2,5-7H,3-4H2,(H,10,11)/t6-,7-/m1/s1
• InChIKey: JZMUDRXVJAZFMZ-RNFRBKRXSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 312.285°C at 760 mmHg (Cal.)
• Flash point: 140.71°C (Cal.)