Cas no 20334-52-5 (1-Buten-1-one (9CI))
1-Buten-1-one (9CI) structure
Product Name:1-Buten-1-one (9CI)
1-Buten-1-one (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1-Buten-1-one (9CI)
- but-1-en-1-one
- 1-buten-1-one
- Ethylketene
- DTXSID90174244
- InChI=1/C4H6O/c1-2-3-4-5/h3H,2H2,1H
- C2H5CH=C=O
- 20334-52-5
-
- Inchi： 1S/C4H6O/c1-2-3-4-5/h3H,2H2,1H3
- InChI Key： JSEMCPMTAXQTJN-UHFFFAOYSA-N
- SMILES： O=C=CCC
Computed Properties
- Exact Mass: 70.04188
- Monoisotopic Mass: 70.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 1
- Complexity: 50.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.774
- Boiling Point: 28°C at 760 mmHg
- Refractive Index: 1.375
- PSA: 17.07
1-Buten-1-one (9CI) Related Literature
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Najib Hayki,Nicolas Desilles,Fabrice Burel Polym. Chem. 2011 2 2350
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Grant R. Allen,Douglas K. Russell New J. Chem. 2004 28 1107
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Fabien Goulay,Adeeb Derakhshan,Eamonn Maher,Adam J. Trevitt,John D. Savee,Adam M. Scheer,David L. Osborn,Craig A. Taatjes Phys. Chem. Chem. Phys. 2013 15 4049
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Chuan-Ying Li,Xiu-Li Sun,Qing Jing,Yong Tang Chem. Commun. 2006 2980
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5. Photochemistry of the matrix-isolated α,β-unsaturated aldehydes acrolein, methacrolein and crotonaldehyde at 4.2 KDuncan E. Johnstone,John R. Sodeau J. Chem. Soc. Faraday Trans. 1992 88 409
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