Cas no 63144-85-4 (2-PROPENENITRILE, 3-ETHOXY-2-METHYL-)
63144-85-4 structure
Product Name:2-PROPENENITRILE, 3-ETHOXY-2-METHYL-
CAS No:63144-85-4
MF:C6H9NO
MW:111.141761541367
CID:3270742
PubChem ID:20549566
Update Time:2025-04-21
2-PROPENENITRILE, 3-ETHOXY-2-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- 2-PROPENENITRILE, 3-ETHOXY-2-METHYL-
- 63144-85-4
- 88456-27-3
- (E)-3-Ethoxy-2-methylacrylonitrile
- 3-Ethoxy-2-methylacrylonitrile
-
- Inchi： 1S/C6H9NO/c1-3-8-5-6(2)4-7/h5H,3H2,1-2H3/b6-5+
- InChI Key： JFBHVVYTNQTFOR-AATRIKPKSA-N
- SMILES： O(/C=C(/C#N)\C)CC
Computed Properties
- Exact Mass: 111.068413911Da
- Monoisotopic Mass: 111.068413911Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 129
- 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: 0.9
- Topological Polar Surface Area: 33?2
2-PROPENENITRILE, 3-ETHOXY-2-METHYL- Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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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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