Cas no 1334388-03-2 (Methyl 2-isopropyl-4-oxocyclohexanecarboxylate)
1334388-03-2 structure
Product Name:Methyl 2-isopropyl-4-oxocyclohexanecarboxylate
CAS No:1334388-03-2
MF:C11H18O3
MW:198.258823871613
CID:2126571
Update Time:2023-08-04
Methyl 2-isopropyl-4-oxocyclohexanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-isopropyl-4-oxocyclohexanecarboxylate
- Cyclohexanecarboxylic acid, 2-(1-methylethyl)-4-oxo-, methyl ester
- Methyl 2-isopropyl-4-oxocyclohexanecarboxylate
-
- Inchi： 1S/C11H18O3/c1-7(2)10-6-8(12)4-5-9(10)11(13)14-3/h7,9-10H,4-6H2,1-3H3
- InChI Key： LUFIXPCICCQXAL-UHFFFAOYSA-N
- SMILES： O(C)C(C1CCC(CC1C(C)C)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 233
- Topological Polar Surface Area: 43.4
Methyl 2-isopropyl-4-oxocyclohexanecarboxylate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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