Cas no 78456-49-2 (Cyclohexanone, 2-acetyl-6-methyl-)
78456-49-2 structure
Product Name:Cyclohexanone, 2-acetyl-6-methyl-
CAS No:78456-49-2
MF:C9H14O2
MW:154.206263065338
CID:1793653
PubChem ID:12729388
Update Time:2025-04-21
Cyclohexanone, 2-acetyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-acetyl-6-methyl-
- 2-acetyl-6-methylcyclohexan-1-one
- 2-Acetyl-6-methylcyclohexanone
- DTXSID30508261
- DB-202768
- 78456-49-2
-
- Inchi： 1S/C9H14O2/c1-6-4-3-5-8(7(2)10)9(6)11/h6,8H,3-5H2,1-2H3
- InChI Key： GNUXTGALPUQHQB-UHFFFAOYSA-N
- SMILES： O=C1C(C(C)=O)CCCC1C
Computed Properties
- Exact Mass: 154.099379685g/mol
- 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: 1
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 34.1?2
Cyclohexanone, 2-acetyl-6-methyl- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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