Cas no 6126-53-0 (Cyclohexanone, 2-(2-oxopropyl)-)
6126-53-0 structure
Product Name:Cyclohexanone, 2-(2-oxopropyl)-
Cyclohexanone, 2-(2-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-(2-oxopropyl)-
- 2-(2-oxopropyl)cyclohexan-1-one
- SCHEMBL1188324
- 2-(2-Oxopropyl)cyclohexanone #
- AB07998
- 6126-53-0
- 2-acetonyl-cyclohexanone
- 2-Acetonylcyclohexanone
- DTXSID30337093
- AKOS015907201
- 2-(2-oxo-propyl)-cyclohexan-1-one
- 2-(2-Oxopropyl)cyclohexanone
- 2-acetonylcyclohexan-1-one
-
- Inchi： 1S/C9H14O2/c1-7(10)6-8-4-2-3-5-9(8)11/h8H,2-6H2,1H3
- InChI Key： ZBEKDHUCMTXKAO-UHFFFAOYSA-N
- SMILES： O=C1CCCCC1CC(C)=O
Computed Properties
- Exact Mass: 154.09942
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cyclohexanone, 2-(2-oxopropyl)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
6126-53-0 (Cyclohexanone, 2-(2-oxopropyl)-) Related Products
- 823-76-7(1-cyclohexylethan-1-one)
- 40649-36-3(4-propylcyclohexan-1-one)
- 5441-51-0(4-ethylcyclohexan-1-one)
- 10458-14-7(Menthone)
- 61203-83-6(4-Pentylcyclohexanone)
- 700-58-3(Adamantanone)
- 1660-04-4(1-(1-adamantyl)ethanone)
- 1193-55-1(2-Methylcyclohexane-1,3-dione)
- 559-74-0(Friedelin)
- 583-60-8(2-Methylcyclohexanone)
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