3,6,6-Trimethyl-4-Oxo-5,7-Dihydro-1H-Indole-2-Carboxylate
[CAS# 129689-88-9]

Identification

• Name: 3,6,6-Trimethyl-4-Oxo-5,7-Dihydro-1H-Indole-2-Carboxylate
• Synonyms: 4-Keto-3,6,6-Trimethyl-5,7-Dihydro-1H-Indole-2-Carboxylate; Zinc03327262
• Molecular Formula: C₁₂H₁₄NO₃
• Molecular Weight: 220.25
• CAS Registry Number: 129689-88-9
• SMILES: CC1=C([NH]C2=C1C(CC(C2)(C)C)=O)C(=O)[O-]
• InChI: 1S/C12H15NO3/c1-6-9-7(13-10(6)11(15)16)4-12(2,3)5-8(9)14/h13H,4-5H2,1-3H3,(H,15,16)/p-1
• InChIKey: CJGCOACZBXRIAE-UHFFFAOYSA-M

Properties

• Boiling point: 454.551°C at 760 mmHg (Cal.)
• Flash point: 228.705°C (Cal.)