Cas no 89269-53-4 (2-Propenoic acid, 2-cyano-3-ethoxy-, 2-butoxyethyl ester)
89269-53-4 structure
Product Name:2-Propenoic acid, 2-cyano-3-ethoxy-, 2-butoxyethyl ester
CAS No:89269-53-4
MF:C12H19NO4
MW:241.28356385231
CID:605922
PubChem ID:71323265
Update Time:2025-04-19
2-Propenoic acid, 2-cyano-3-ethoxy-, 2-butoxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-cyano-3-ethoxy-, 2-butoxyethyl ester
- 2-butoxyethyl 2-cyano-3-ethoxyprop-2-enoate
- 89269-53-4
- DTXSID80752873
-
- Inchi： 1S/C12H19NO4/c1-3-5-6-16-7-8-17-12(14)11(9-13)10-15-4-2/h10H,3-8H2,1-2H3
- InChI Key： BMTPJYRTQOUGBO-UHFFFAOYSA-N
- SMILES： O(CCOC(C(C#N)=COCC)=O)CCCC
Computed Properties
- Exact Mass: 241.13140809g/mol
- Monoisotopic Mass: 241.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 290
- 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: 1.7
- Topological Polar Surface Area: 68.6?2
2-Propenoic acid, 2-cyano-3-ethoxy-, 2-butoxyethyl ester Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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