Cas no 93966-57-5 (2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, propyl ester)
93966-57-5 structure
Product Name:2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, propyl ester
CAS No:93966-57-5
MF:C14H15NO3
MW:245.273803949356
CID:805800
PubChem ID:3086384
Update Time:2025-04-19
2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, propyl ester
- propyl 2-cyano-3-(4-methoxyphenyl)acrylate
- propyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate
- Propyl2-cyano-3-(4-methoxyphenyl)-2-propenoate
- 93966-57-5
- NS00039827
- 2-Propenoic acid, 2-cyano-3-(4-methoxyphenyl)-, propyl ester
-
- Inchi： 1S/C14H15NO3/c1-3-8-18-14(16)12(10-15)9-11-4-6-13(17-2)7-5-11/h4-7,9H,3,8H2,1-2H3
- InChI Key： MAZUUFMIUTXWHD-UHFFFAOYSA-N
- SMILES： O(C(C(C#N)=CC1C=CC(=CC=1)OC)=O)CCC
Computed Properties
- Exact Mass: 245.105193
- Monoisotopic Mass: 245.105193
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 345
- 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: 2.9
- Topological Polar Surface Area: 59.3
Experimental Properties
- Density: 1.129
- Boiling Point: 395.8°Cat760mmHg
- Flash Point: 173.1°C
- Refractive Index: 1.547
2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, propyl ester Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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