Cas no 24139-56-8 (2,4-Pentadienoic acid,2-cyano-5-phenyl-, ethyl ester)
24139-56-8 structure
Product Name:2,4-Pentadienoic acid,2-cyano-5-phenyl-, ethyl ester
CAS No:24139-56-8
MF:C14H13NO2
MW:227.258523702621
CID:259683
PubChem ID:5466542
Update Time:2025-04-19
2,4-Pentadienoic acid,2-cyano-5-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentadienoic acid,2-cyano-5-phenyl-, ethyl ester
- 2-Cyan-5-phenyl-penta-2,4-diensaeure-aethylester
- 2-cyano-5-phenyl-penta-2,4-dienoic acid ethyl ester
- 3-phenylallylidenecyanoacetate
- 5-Phenyl-2-cyano-2,4-pentadienoic acid ethyl ester
- Cinnamalcyanessigsaeure-aethylester
- ethyl (2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienoate
- ethyl 2-cyano-5-phenyl-2,4-pentadienoate
- Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate
- NSC 85627
- 2-Cyano-5-phenyl-pent-2,4-diensaeureethylester
- 2-Cyano-5-phenyl-pent-2,4-dienoic acid, ethyl ester
- Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate #
- ethyl-2-cyano-5-phenyl-(2e,4e)-pentadienoate
- 24139-56-8
- 41109-95-9
- 2,4-Pentadienoic acid, 2-cyano-5-phenyl-, ethyl ester
- 2-Cyano-5-phenyl-2,4-pentadienoic acid ethyl ester
- 1-09-00-00397 (Beilstein Handbook Reference)
- LXDIOTPAZODMST-DEKJKZHBSA-N
- DTXSID701238358
- BRN 2108937
- SCHEMBL10394706
- ethyl (2E,4E)-2-cyano-5-phenylpenta-2,4-dienoate
-
- Inchi： 1S/C14H13NO2/c1-2-17-14(16)13(11-15)10-6-9-12-7-4-3-5-8-12/h3-10H,2H2,1H3/b9-6+,13-10+
- InChI Key： LXDIOTPAZODMST-DEKJKZHBSA-N
- SMILES： O(C(/C(/C#N)=C/C=C/C1C=CC=CC=1)=O)CC
Computed Properties
- Exact Mass: 227.09469
- Monoisotopic Mass: 227.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 354
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 50.1A^2
Experimental Properties
- Density: 1.118g/cm3
- Boiling Point: 394.9oC at 760 mmHg
- Flash Point: 192.2oC
- Refractive Index: 1.572
- PSA: 50.09
- LogP: 2.71288
2,4-Pentadienoic acid,2-cyano-5-phenyl-, ethyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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