(2E)-3-[6-Methoxy-2-(methoxycarbonyl)-1H-indol-3-yl]acrylic acid
[CAS# 885273-67-6]

Identification

• Name: (2E)-3-[6-Methoxy-2-(methoxycarbonyl)-1H-indol-3-yl]acrylic acid
• Synonyms: (2E)-3-[6-Methoxy-2-(methoxycarbonyl)-1H-indol-3-yl]acrylic acid; (2E)-3-[6-Methoxy-2-(methoxycarbonyl)-1H-indol-3-yl]acrylsäure; 1H-Indole-2-carboxylic acid, 3-[(E)-2-carboxyethenyl]-6-methoxy-, 2-methyl ester
• Molecular Formula: C₁₄H₁₃NO₅
• Molecular Weight: 275.26
• CAS Registry Number: 885273-67-6
• SMILES: COc1ccc2c(c1)[nH]c(c2/C=C/C(=O)O)C(=O)OC
• InChI: 1S/C14H13NO5/c1-19-8-3-4-9-10(5-6-12(16)17)13(14(18)20-2)15-11(9)7-8/h3-7,15H,1-2H3,(H,16,17)/b6-5+
• InChIKey: AOPOXEBHYBIYOL-AATRIKPKSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 533.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 276.3±30.1°C (Cal.)
• Refractive index: 1.67 (Cal.)