Cas no 89269-59-0 (2-Propenoic acid, 2-cyano-3-ethoxy-, 2-cyanoethyl ester)
89269-59-0 structure
Product Name:2-Propenoic acid, 2-cyano-3-ethoxy-, 2-cyanoethyl ester
CAS No:89269-59-0
MF:C9H10N2O3
MW:194.187302112579
CID:605916
PubChem ID:71323271
Update Time:2025-04-19
2-Propenoic acid, 2-cyano-3-ethoxy-, 2-cyanoethyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid, 2-cyano-3-ethoxy-, 2-cyanoethyl ester
- 2-cyanoethyl 2-cyano-3-ethoxyprop-2-enoate
- 89269-59-0
- DTXSID40752879
-
- Inchi： 1S/C9H10N2O3/c1-2-13-7-8(6-11)9(12)14-5-3-4-10/h7H,2-3,5H2,1H3
- InChI Key： MDWPGLMSJGWIDO-UHFFFAOYSA-N
- SMILES： O(C(C(C#N)=COCC)=O)CCC#N
Computed Properties
- Exact Mass: 194.06914219g/mol
- Monoisotopic Mass: 194.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 315
- 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: 0.3
- Topological Polar Surface Area: 83.1?2
2-Propenoic acid, 2-cyano-3-ethoxy-, 2-cyanoethyl ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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