Cas no 65221-11-6 (2-Butenoic acid, 2-cyano-, ethyl ester, (2E)-)
65221-11-6 structure
Product Name:2-Butenoic acid, 2-cyano-, ethyl ester, (2E)-
CAS No:65221-11-6
MF:C7H9NO2
MW:139.151861906052
CID:389245
PubChem ID:5368875
Update Time:2025-04-19
2-Butenoic acid, 2-cyano-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-cyano-, ethyl ester, (2E)-
- ethyl 2-cyanobut-2-enoate
- 686-33-9
- (E)-2-Cyano-but-2-enoic acid ethyl ester
- ethyl (E)-2-cyanobut-2-enoate
- AS-77529
- Ethyl 2-cyanocrotonate
- AKOS006294042
- 2-Butenoic acid, 2-cyano-, ethyl ester
- (E)-Ethyl 2-cyanobut-2-enoate
- ethyl a-cyanocrotonate
- 65221-11-6
- SCHEMBL4906704
- Ethyl (2E)-2-cyano-2-butenoate #
- Ethyl(2E)-2-cyano-2-butenoate
-
- Inchi： 1S/C7H9NO2/c1-3-6(5-8)7(9)10-4-2/h3H,4H2,1-2H3/b6-3+
- InChI Key： WIUDWAAJQVNSOH-ZZXKWVIFSA-N
- SMILES： O(C(/C(/C#N)=C/C)=O)CC
Computed Properties
- Exact Mass: 139.063328530g/mol
- Monoisotopic Mass: 139.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 50.1?2
2-Butenoic acid, 2-cyano-, ethyl ester, (2E)- Related Literature
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1. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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