3,3a,4,5,6,7-Hexahydro-2H-indole-2-carboxylic acid
[CAS# 770685-87-5]

Identification

• Name: 3,3a,4,5,6,7-Hexahydro-2H-indole-2-carboxylic acid
• Synonyms: 2H-INDOLE-2-CARBOXYLICACID, 3,3A,4,5,6,7-HEXAHYDRO-; 2H-INDOLE-2-CARBOXYLICACID, 3,3A,4,5,6,7-HEXAHYDRO-, (2S,3AR)-; 2H-INDOLE-2-CARBOXYLICACID, 3,3A,4,5,6,7-HEXAHYDRO-, (2S,3AS)-
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.21
• CAS Registry Number: 770685-87-5
• SMILES: OC(=O)C\1CC2CCCC\C2=N/1
• InChI: 1S/C9H13NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6,8H,1-5H2,(H,11,12)
• InChIKey: PIBUCWVTUGZXRB-UHFFFAOYSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 322.602°C at 760 mmHg (Cal.)
• Flash point: 148.905°C (Cal.)
• Refractive index: 1.65 (Cal.)