Cas no 61372-95-0 (2-Propenoic acid, 2-cyano-3-(4-ethenylphenyl)-)
61372-95-0 structure
Product Name:2-Propenoic acid, 2-cyano-3-(4-ethenylphenyl)-
CAS No:61372-95-0
MF:C12H9NO2
MW:199.205363035202
CID:481761
PubChem ID:71396381
Update Time:2025-04-19
2-Propenoic acid, 2-cyano-3-(4-ethenylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-cyano-3-(4-ethenylphenyl)-
- 2-cyano-3-(4-ethenylphenyl)prop-2-enoic acid
- DTXSID20817950
- 61372-95-0
-
- Inchi： 1S/C12H9NO2/c1-2-9-3-5-10(6-4-9)7-11(8-13)12(14)15/h2-7H,1H2,(H,14,15)
- InChI Key： OKOYYFZVGFGDDY-UHFFFAOYSA-N
- SMILES： OC(C(C#N)=CC1C=CC(C=C)=CC=1)=O
Computed Properties
- Exact Mass: 199.06337
- Monoisotopic Mass: 199.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 327
- 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: 2.6
- Topological Polar Surface Area: 61.1?2
Experimental Properties
- PSA: 61.09
2-Propenoic acid, 2-cyano-3-(4-ethenylphenyl)- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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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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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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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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