Cas no 89269-55-6 (2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester)
89269-55-6 structure
Product Name:2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester
CAS No:89269-55-6
MF:C11H17NO4
MW:227.2569835186
CID:605920
PubChem ID:71323267
Update Time:2025-04-19
2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester
- 3-ethoxypropyl 2-cyano-3-ethoxyprop-2-enoate
- 89269-55-6
- DTXSID00752875
-
- Inchi: 1S/C11H17NO4/c1-3-14-6-5-7-16-11(13)10(8-12)9-15-4-2/h9H,3-7H2,1-2H3
- InChI Key: IAFAGQUWUWOUOE-UHFFFAOYSA-N
- SMILES: O(CC)CCCOC(C(C#N)=COCC)=O
Computed Properties
- Exact Mass: 227.11575802g/mol
- Monoisotopic Mass: 227.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 277
- 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: 1.2
- Topological Polar Surface Area: 68.6?2
2-Propenoic acid, 2-cyano-3-ethoxy-, 3-ethoxypropyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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