Cas no 89115-26-4 (2-(2-Methylprop-2-enoyloxy)ethyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate)
89115-26-4 structure
Product Name:2-(2-Methylprop-2-enoyloxy)ethyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
CAS No:89115-26-4
MF:C17H17NO4
MW:299.321184873581
CID:611691
Update Time:2023-08-03
2-(2-Methylprop-2-enoyloxy)ethyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid, 2-cyano-3-(4-methylphenyl)-,2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
- 1,2-Ethanediol 1-methacrylate 2-[2-cyano-3-(4-methylphenyl)acrylate]
- 2-(2-Methylprop-2-enoyloxy)ethyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
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- Inchi: 1S/C17H17NO4/c1-12(2)16(19)21-8-9-22-17(20)15(11-18)10-14-6-4-13(3)5-7-14/h4-7,10H,1,8-9H2,2-3H3/b15-10+
- InChI Key: PEQNAENRBJUPKC-XNTDXEJSSA-N
- SMILES: O(C(/C(/C#N)=C/C1C=CC(C)=CC=1)=O)CCOC(C(=C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 504
- Topological Polar Surface Area: 76.4
2-(2-Methylprop-2-enoyloxy)ethyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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