4-Oxo-4,5,6,7-Tetrahydro-1H-Indole-3-Carboxylic Acid
[CAS# 168271-91-8]

Identification

• Name: 4-Oxo-4,5,6,7-Tetrahydro-1H-Indole-3-Carboxylic Acid
• Synonyms: 1H-INDOLE-3-CARBOXYLICACID, 4,5,6,7-TETRAHYDRO-4-OXO-; 4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid; 4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLICACID
• Molecular Formula: C₉H₉NO₃
• Molecular Weight: 179.17
• CAS Registry Number: 168271-91-8
• SMILES: OC(=O)c2cnc1CCCC(=O)c12
• InChI: 1S/C9H9NO3/c11-7-3-1-2-6-8(7)5(4-10-6)9(12)13/h4,10H,1-3H2,(H,12,13)
• InChIKey: IOPXFUALWUTZQK-UHFFFAOYSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 469.926°C at 760 mmHg (Cal.)
• Flash point: 238.003°C (Cal.)
• Refractive index: 1.64 (Cal.)