Cas no 52456-87-8 (Cyclohexanecarboxylic acid, 3-methyl-2-oxo-)
52456-87-8 structure
Product Name:Cyclohexanecarboxylic acid, 3-methyl-2-oxo-
CAS No:52456-87-8
MF:C8H12O3
MW:156.179082870483
CID:359589
PubChem ID:13566803
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 3-methyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 3-methyl-2-oxo-
- 3-methyl-2-oxocyclohexane-1-carboxylic acid
- DTXSID10543978
- 52456-87-8
-
- Inchi： 1S/C8H12O3/c1-5-3-2-4-6(7(5)9)8(10)11/h5-6H,2-4H2,1H3,(H,10,11)
- InChI Key： FKCDMTCPACJSRK-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)O)CCCC1C
Computed Properties
- Exact Mass: 156.07866
- Monoisotopic Mass: 156.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 1.9
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Cyclohexanecarboxylic acid, 3-methyl-2-oxo- 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
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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
52456-87-8 (Cyclohexanecarboxylic acid, 3-methyl-2-oxo-) Related Products
- 141-97-9(Ethyl acetoacetate)
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- 64234-14-6((1R)-(-)-Ketopinicacid)
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- 40724-67-2(7,7-Dimethyl-2-oxobicyclo2.2.1heptane-1-carboxylic Acid)
- 464-78-8(7,7-dimethyl-2-oxo-norbornane-1-carboxylic acid)
- 18709-01-8(2-Oxocyclohexanecarboxylic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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