2-[6-Methyl-5-[(Z)-3-Phenylprop-2-Enoyl]-[1,3]Dioxolo[4,5-f]Indol-7-Yl]Acetic Acid
[CAS# 37646-31-4]

Identification

• Name: 2-[6-Methyl-5-[(Z)-3-Phenylprop-2-Enoyl]-[1,3]Dioxolo[4,5-f]Indol-7-Yl]Acetic Acid
• Synonyms: 2-[6-Methyl-5-[(Z)-1-Oxo-3-Phenylprop-2-Enyl]-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Acetic Acid; 2-[6-Methyl-5-[(Z)-3-Phenylacryloyl]-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Acetic Acid; 2-[6-Methyl-5-[(Z)-3-Phenylprop-2-Enoyl]-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Ethanoic Acid
• Molecular Formula: C₂₁H₁₇NO₅
• Molecular Weight: 363.37
• CAS Registry Number: 37646-31-4
• SMILES: C1=C4C(=CC2=C1C(=C([N]2C(\C=C/C3=CC=CC=C3)=O)C)CC(O)=O)OCO4
• InChI: 1S/C21H17NO5/c1-13-15(10-21(24)25)16-9-18-19(27-12-26-18)11-17(16)22(13)20(23)8-7-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,24,25)/b8-7-
• InChIKey: BAOWVODWXXCRBH-FPLPWBNLSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 505.51°C at 760 mmHg (Cal.)
• Flash point: 259.523°C (Cal.)