(2S,3aR,7aS)-2,3,3a,4,5,7a-Hexahydro-1H-indole-2-carboxylic acid
[CAS# 89077-60-1]

Identification

• Name: (2S,3aR,7aS)-2,3,3a,4,5,7a-Hexahydro-1H-indole-2-carboxylic acid
• Synonyms: (2S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-indole-2-carboxylic acid
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.21
• CAS Registry Number: 89077-60-1
• SMILES: OC(=O)[C@@H]1C[C@H]2CC\C=C/[C@H]2N1
• InChI: 1S/C9H13NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h2,4,6-8,10H,1,3,5H2,(H,11,12)/t6-,7-,8+/m1/s1
• InChIKey: ZYJLQIFSQDFEQU-PRJMDXOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 329.387°C at 760 mmHg (Cal.)
• Flash point: 153.008°C (Cal.)