Cas no 26725-94-0 (2-Propenoic acid, 2-cyano-3-phenyl-, hexyl ester)
26725-94-0 structure
Product Name:2-Propenoic acid, 2-cyano-3-phenyl-, hexyl ester
CAS No:26725-94-0
MF:C16H19NO2
MW:257.327564477921
CID:237776
PubChem ID:69990827
Update Time:2025-04-19
2-Propenoic acid, 2-cyano-3-phenyl-, hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-cyano-3-phenyl-, hexyl ester
- hexyl 2-cyano-3-phenylprop-2-enoate
- 26725-94-0
- DTXSID10741598
-
- Inchi： 1S/C16H19NO2/c1-2-3-4-8-11-19-16(18)15(13-17)12-14-9-6-5-7-10-14/h5-7,9-10,12H,2-4,8,11H2,1H3
- InChI Key： ZEFYSDVBUAAATG-UHFFFAOYSA-N
- SMILES： O(C(C(C#N)=CC1C=CC=CC=1)=O)CCCCCC
Computed Properties
- Exact Mass: 257.141578849g/mol
- Monoisotopic Mass: 257.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 345
- 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: 4.4
- Topological Polar Surface Area: 50.1?2
2-Propenoic acid, 2-cyano-3-phenyl-, hexyl ester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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