Cas no 19355-28-3 ( )
structure
Product Name:
CAS No:19355-28-3
MF:C14H15NO2
MW:229.274403810501
CID:908057
PubChem ID:6509722
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl (E)-2-cyano-3-(3-methylphenyl)but-2-enoate
- 2-Cyan-3-(3-methylphenyl)-2-butensaeure-ethylester
- AC1O6W3F
- NSC169062
- 19355-28-3
- NSC-169062
- DTXSID00424782
-
-
- Inchi: 1S/C14H15NO2/c1-4-17-14(16)13(9-15)11(3)12-7-5-6-10(2)8-12/h5-8H,4H2,1-3H3/b13-11+
- InChI Key: ALPTZAPCAFYXKJ-ACCUITESSA-N
- SMILES: O(CC)C(/C(/C#N)=C(\C)/C1C=CC=C(C)C=1)=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: 4
- Complexity: 362
- 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: 3.5
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
- LogP: 2.85518
Related Literature
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
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
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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