Cas no 5031-83-4 (Benzeneacetaldehyde, a-(2-phenylethylidene)-)
5031-83-4 structure
Product Name:Benzeneacetaldehyde, a-(2-phenylethylidene)-
Benzeneacetaldehyde, a-(2-phenylethylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetaldehyde, a-(2-phenylethylidene)-
- (2E)-2,4-Diphenyl-2-butenal
- 2,4-diphenylcrotonaldehyde
- (+-)-2,4-Diphenyl-buttersaeure-aethylester
- 1,3-Diphenyl-buten-(2)-al-(4)
- 2,4-diphenyl-2-butenal
- 2,4-diphenylbut-2-enal
- 2,4-Diphenyl-buttersaeure-aethylester
- 2,4-diphenyl-butyric acid ethyl ester
- 2,4-Diphenyl-crotonaldehyd
- 2,4-diphenyl-crotonaldehyde
- AC1L5TPU
- AC1Q63XH
- AG-J-94910
- AR-1I8181
- CTK4J8476
- NSC82226
- 5031-83-4
- Benzeneacetaldehyde, .alpha.-(2-phenylethylidene)-
- UNII-08E7NBM7TD
- EINECS 225-723-0
- 08E7NBM7TD
- NS00032038
- Q27236399
- BENZENEACETALDEHYDE, .ALPHA.-(2-PHENYLETHYLIDENE)-, (E)-
- Benzeneacetaldehyde, alpha-(2-phenylethylidene)-
- (E)-2,4-diphenylcrotonaldehyde
- (E)-2,4-diphenylbut-2-enal
- SCHEMBL9166134
- (E)-2,4-Diphenyl-2-butenal
- Benzeneacetaldehyde, alpha-(2-phenylethylidene)-, (alphaE)-
- 115872-75-8
- UNII-EQ7W6S78H1
- EQ7W6S78H1
- Benzeneacetaldehyde, alpha-(2-phenylethylidene)-, (E)-
- BENZENEACETALDEHYDE, .ALPHA.-(2-PHENYLETHYLIDENE)-, (.ALPHA.E)-
- 2,4-Diphenylcrotonaldehyde, (E)-
-
- Inchi： 1S/C16H14O/c17-13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,12-13H,11H2
- InChI Key： AXZDPAXJQHIRTE-UHFFFAOYSA-N
- SMILES： O=CC(C1C=CC=CC=1)=CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 222.10452
- Monoisotopic Mass: 222.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 255
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 3.7
Experimental Properties
- Density: 1.067g/cm3
- Boiling Point: 391.8oC at 760 mmHg
- Flash Point: 154.8oC
- Refractive Index: 1.587
- PSA: 17.07
- LogP: 3.51160
Benzeneacetaldehyde, a-(2-phenylethylidene)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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