Cas no 14580-53-1 (Cyclohexanone, 2-acetyl-3-methyl-)
14580-53-1 structure
Product Name:Cyclohexanone, 2-acetyl-3-methyl-
CAS No:14580-53-1
MF:C9H14O2
MW:154.206263065338
CID:1315930
PubChem ID:12575374
Update Time:2025-04-20
Cyclohexanone, 2-acetyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-acetyl-3-methyl-
- 2-acetyl-3-methylcyclohexan-1-one
- DB-202754
- SCHEMBL11530119
- 14580-53-1
- AKOS015906578
- DTXSID00503107
- 2-acetyl-3-methylcyclohexanone
-
- Inchi： 1S/C9H14O2/c1-6-4-3-5-8(11)9(6)7(2)10/h6,9H,3-5H2,1-2H3
- InChI Key： HNEWIZODWMVGNN-UHFFFAOYSA-N
- SMILES： O=C1CCCC(C)C1C(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: 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: 1.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cyclohexanone, 2-acetyl-3-methyl- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
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
14580-53-1 (Cyclohexanone, 2-acetyl-3-methyl-) Related Products
- 823-76-7(1-cyclohexylethan-1-one)
- 96184-81-5(4-Oxocyclohexanecarbaldehyde)
- 10458-14-7(Menthone)
- 18362-64-6(2,6-Dimethyl-3,5-heptanedione)
- 4341-24-6(5-Methylcyclohexane-1,3-dione)
- 700-58-3(Adamantanone)
- 14765-30-1(2-Sec-Butylcyclohexanone)
- 1193-55-1(2-Methylcyclohexane-1,3-dione)
- 874-23-7(2-acetylcyclohexan-1-one)
- 583-60-8(2-Methylcyclohexanone)
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