Cas no 144918-37-6 (2-Pentenoic acid, 2-cyano-, ethyl ester, (2E)-)
144918-37-6 structure
Product Name:2-Pentenoic acid, 2-cyano-, ethyl ester, (2E)-
CAS No:144918-37-6
MF:C8H11NO2
MW:153.178442239761
CID:1315492
PubChem ID:4200801
Update Time:2025-04-20
2-Pentenoic acid, 2-cyano-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenoic acid, 2-cyano-, ethyl ester, (2E)-
- ethyl 2-cyanopent-2-enoate
- 1-cyano-1-ethoxycarbonyl-1-butene
- 2-cyano-pent-2-enoic acid ethyl ester
- 2-Cyan-pent-2-ensaeure-aethylester
- ethyl 2-cyano-3-ethoxyacrylate
- DTXSID90400777
- 144918-37-6
- AKOS030240455
- 56569-41-6
-
- MDL： MFCD00089564
- Inchi： 1S/C8H11NO2/c1-3-5-7(6-9)8(10)11-4-2/h5H,3-4H2,1-2H3
- InChI Key： HECULCWTVRHVGP-UHFFFAOYSA-N
- SMILES： O(C(C(C#N)=CCC)=O)CC
Computed Properties
- Exact Mass: 153.07900
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.6
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09000
- LogP: 1.40948
2-Pentenoic acid, 2-cyano-, ethyl ester, (2E)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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