Cas no 14442-48-9 (2-Pentenoic acid,2-cyano-3-phenyl-, ethyl ester)
14442-48-9 structure
Product Name:2-Pentenoic acid,2-cyano-3-phenyl-, ethyl ester
CAS No:14442-48-9
MF:C14H15NO2
MW:229.274403810501
CID:172277
PubChem ID:5783196
Update Time:2025-04-19
2-Pentenoic acid,2-cyano-3-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenoic acid,2-cyano-3-phenyl-, ethyl ester
- Ethyl 2-cyano-3-phenyl delta<sup>2</sup>-pentenoate
- ethyl (Z)-2-cyano-3-phenyl-pent-2-enoate
- ethyl 2-cyano-3-phenylpent-2-enoate
- 14442-48-9
- ethyl (2E)-2-cyano-3-phenyl-2-pentenoate
- NSC408238
- AM20020495
- ethyl (E)-2-cyano-3-phenylpent-2-enoate
- NSC-408238
-
- Inchi： 1S/C14H15NO2/c1-3-12(11-8-6-5-7-9-11)13(10-15)14(16)17-4-2/h5-9H,3-4H2,1-2H3/b13-12+
- InChI Key： LYBDDDYNWSIADW-OUKQBFOZSA-N
- SMILES： O(CC)C(/C(/C#N)=C(/C1C=CC=CC=1)\CC)=O
Computed Properties
- Exact Mass: 229.11035
- Monoisotopic Mass: 229.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 343
- 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: 3.6
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
- LogP: 2.93688
2-Pentenoic acid,2-cyano-3-phenyl-, ethyl ester Related Literature
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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