Cas no 35894-62-3 ((E)-2-cyano-3-phenyl-prop-2-enoic acid)
35894-62-3 structure
Product Name:(E)-2-cyano-3-phenyl-prop-2-enoic acid
CAS No:35894-62-3
MF:C10H7KNO2
MW:212.2663834095
CID:920798
PubChem ID:54600981
Update Time:2025-04-19
(E)-2-cyano-3-phenyl-prop-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- (E)-2-cyano-3-phenyl-prop-2-enoic acid
- potassium,(Z)-2-cyano-3-phenylprop-2-enoic acid
- NSC243734
- NSC-243734
- potassium;(Z)-2-cyano-3-phenylprop-2-enoic acid
- DTXSID50713037
- 35894-62-3
-
- Inchi： 1S/C10H7NO2.K/c11-7-9(10(12)13)6-8-4-2-1-3-5-8;/h1-6H,(H,12,13);/q;+1/b9-6-;
- InChI Key： DSVNCFMSPARWBN-BORNJIKYSA-N
- SMILES： [K+].OC(/C(/C#N)=C\C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 173.04771
- Monoisotopic Mass: 212.01138495g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 266
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.1?2
Experimental Properties
- PSA: 61.09
- LogP: 1.67818
(E)-2-cyano-3-phenyl-prop-2-enoic acid Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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