Ethyl trans-alpha-cyano-3-indoleacrylate

• CAS: 62309-96-0
• Catalog Number: ACM62309960
• Category: Organic & Printed Electronics
• Molecular Weight: 240.26g/mol
• Molecular Formula: C14H12N2O2
• Synonyms: ETHYL TRANS-ALPHA-CYANO-3-INDOLEACRYLATE;ethyl trans-α-cyano-3-indoleacrylate;Ethyl(2E)-2-cyano-3-(1H-indolyl-3-yl)acrylate
• IUPAC Name: ethyl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
• Canonical SMILES: CCOC(=O)C(=CC1=CNC2=CC=CC=C21)C#N
• InChI: InChI=1S/C14H12N2O2/c1-2-18-14(17)10(8-15)7-11-9-16-13-6-4-3-5-12(11)13/h3-7,9,16H,2H2,1H3/b10-7+
• InChI Key: XDRLIASMKGKPDX-JXMROGBWSA-N
• Complexity: 394
• Covalently-Bonded Unit Count: 1
• EC Number: 228-517-9
• Exact Mass: 240.089878g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 240.089878g/mol
• NSC Number: 660162
• Rotatable Bond Count: 4
• XLogP3: 2.6