Cas no 70873-46-0 (Acetic acid, cyano-, 2-ethoxy-2-oxoethyl ester)
70873-46-0 structure
Product Name:Acetic acid, cyano-, 2-ethoxy-2-oxoethyl ester
CAS No:70873-46-0
MF:C7H9NO4
MW:171.150662183762
CID:531073
PubChem ID:12483638
Update Time:2025-04-19
Acetic acid, cyano-, 2-ethoxy-2-oxoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, cyano-, 2-ethoxy-2-oxoethyl ester
- (2-ethoxy-2-oxoethyl) 2-cyanoacetate
- 2-Ethoxy-2-oxoethyl cyanoacetate
- SCHEMBL10836027
- 70873-46-0
- DTXSID90499949
-
- Inchi： 1S/C7H9NO4/c1-2-11-7(10)5-12-6(9)3-4-8/h2-3,5H2,1H3
- InChI Key： JJLBBFONLJUEKL-UHFFFAOYSA-N
- SMILES： O(C(COC(CC#N)=O)=O)CC
Computed Properties
- Exact Mass: 171.05315777g/mol
- Monoisotopic Mass: 171.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 76.4?2
Acetic acid, cyano-, 2-ethoxy-2-oxoethyl ester Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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