(2E)-3-[5-Methoxy-2-(methoxycarbonyl)-1H-indol-3-yl]acrylic acid
[CAS# 885273-71-2]

Identification

• Name: (2E)-3-[5-Methoxy-2-(methoxycarbonyl)-1H-indol-3-yl]acrylic acid
• Synonyms: (2E)-3-[5-Methoxy-2-(methoxycarbonyl)-1H-indol-3-yl]acrylic acid; (2E)-3-[5-Methoxy-2-(methoxycarbonyl)-1H-indol-3-yl]acrylsäure; 1H-Indole-2-carboxylic acid, 3-[(E)-2-carboxyethenyl]-5-methoxy-, 2-methyl ester
• Molecular Formula: C₁₄H₁₃NO₅
• Molecular Weight: 275.26
• CAS Registry Number: 885273-71-2
• SMILES: COc1ccc2c(c1)c(c([nH]2)C(=O)OC)/C=C/C(=O)O
• InChI: 1S/C14H13NO5/c1-19-8-3-5-11-10(7-8)9(4-6-12(16)17)13(15-11)14(18)20-2/h3-7,15H,1-2H3,(H,16,17)/b6-4+
• InChIKey: XYFRHHAYSXIKGH-GQCTYLIASA-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.)