Cas no 5729-47-5 (2-Pentenal, 4-oxo-)
2-Pentenal, 4-oxo- structure
Product Name:2-Pentenal, 4-oxo-
2-Pentenal, 4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenal, 4-oxo-
- 4-KETO-2-PENTENAL
- acetylacrolein
- 5729-47-5
- (E)-4-oxopent-2-enal
- GBLMMVFQENXAFZ-NSCUHMNNSA-N
- 4-Ketopentenal
- 4-oxo-2-pentenal
- 3-Acetylacrolein
-
- Inchi： 1S/C5H6O2/c1-5(7)3-2-4-6/h2-4H,1H3/b3-2+
- InChI Key： GBLMMVFQENXAFZ-NSCUHMNNSA-N
- SMILES： O=C(/C=C/C=O)C
Computed Properties
- Exact Mass: 98.03678
- Monoisotopic Mass: 98.036779
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 103
- 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: 34.1
- XLogP3: -0.3
Experimental Properties
- Density: 0.989
- Boiling Point: 199.5°C at 760 mmHg
- Flash Point: 70.5°C
- Refractive Index: 1.427
- PSA: 34.14
2-Pentenal, 4-oxo- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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