Cas no 5406-96-2 (Ethyl 2-(3-methyl-2-oxocyclohexyl)-2-oxoacetate)
5406-96-2 structure
Product Name:Ethyl 2-(3-methyl-2-oxocyclohexyl)-2-oxoacetate
CAS No:5406-96-2
MF:C11H16O4
MW:212.242343902588
CID:1587329
PubChem ID:221186
Update Time:2025-04-21
Ethyl 2-(3-methyl-2-oxocyclohexyl)-2-oxoacetate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 2-(3-methyl-2-oxocyclohexyl)-2-oxoacetate
- CTK4J9464
- AG-J-18664
- (3-methyl-2-oxo-cyclohexyl)-glyoxylic acid ethyl ester
- (3-Methyl-2-oxo-cyclohexyl)-glyoxylsaeure-aethylester
- AR-1J0225
- AC1L59WF
- ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate
- (3-Methyl-2-oxo-cyclohexyl)-glyoxylsaeure-ethylester
- NSC5335
- AC1Q6DHQ
- CTK4J9464; AG-J-18664; (3-methyl-2-oxo-cyclohexyl)-glyoxylic acid ethyl ester; (3-Methyl-2-oxo-cyclohexyl)-glyoxylsaeure-aethylester; AR-1J0225; AC1L59WF; ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate; (3-Methyl-2-oxo-cyclohexyl)-glyoxylsaeure-ethylester; NSC5335; AC1Q6DHQ;
- NSC-5335
- DTXSID50277962
- 5406-96-2
-
- Inchi： 1S/C11H16O4/c1-3-15-11(14)10(13)8-6-4-5-7(2)9(8)12/h7-8H,3-6H2,1-2H3
- InChI Key： GNGXPOLCIGNAFB-UHFFFAOYSA-N
- SMILES： O=C1C(C(C(=O)OCC)=O)CCCC1C
Computed Properties
- Exact Mass: 212.10488
- Monoisotopic Mass: 212.104859
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 282
- 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
- Topological Polar Surface Area: 60.4
- XLogP3: 1.9
Experimental Properties
- Density: 1.113
- Boiling Point: 323.9°C at 760 mmHg
- Flash Point: 141.7°C
- Refractive Index: 1.465
- PSA: 60.44
- LogP: 1.12390
Ethyl 2-(3-methyl-2-oxocyclohexyl)-2-oxoacetate Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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