(3aS,7aS)-3a,4,5,6,7,7a-Hexahydro-3H-indole-2-carboxylic acid
[CAS# 612069-05-3]

Identification

• Name: (3aS,7aS)-3a,4,5,6,7,7a-Hexahydro-3H-indole-2-carboxylic acid
• Synonyms: (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.21
• CAS Registry Number: 612069-05-3
• SMILES: O=C(O)/C1=N/[C@H]2CCCC[C@H]2C1
• InChI: 1S/C9H13NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-7H,1-5H2,(H,11,12)/t6-,7-/m0/s1
• InChIKey: GATFTDQNIWULCV-BQBZGAKWSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 319.1°C at 760 mmHg (Cal.)
• Flash point: 146.8°C (Cal.)
• Refractive index: 1.65 (Cal.)