Cas no 89317-64-6 (1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester)
89317-64-6 structure
Product Name:1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester
CAS No:89317-64-6
MF:C9H13O6
MW:217.195923566818
CID:604333
PubChem ID:71323575
Update Time:2025-04-19
1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester
- 4-ethoxy-2-ethoxycarbonyl-4-oxobutanoate
- DTXSID80753148
- 89317-64-6
- 4-Ethoxy-2-(ethoxycarbonyl)-4-oxobutanoate
-
- Inchi: 1S/C9H14O6/c1-3-14-7(10)5-6(8(11)12)9(13)15-4-2/h6H,3-5H2,1-2H3,(H,11,12)/p-1
- InChI Key: VFDSMMNVSSYTTD-UHFFFAOYSA-M
- SMILES: O(CC)C(C(C(=O)[O-])CC(=O)OCC)=O
Computed Properties
- Exact Mass: 217.07121313g/mol
- Monoisotopic Mass: 217.07121313g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 92.7?2
1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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
89317-64-6 (1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester) Related Products
- 3779-29-1(1,1-diethyl cyclobutane-1,1-dicarboxylate)
- 14035-96-2(Dimethyl 2-propylmalonate)
- 7459-46-3(1,1,2-triethyl ethane-1,1,2-tricarboxylate)
- 133-13-1(1,3-diethyl 2-ethylpropanedioate)
- 596-75-8(Diethyl dibutylmalonate)
- 1559-02-0(Diethyl 1,1-cyclopropanedicarboxylate)
- 2163-48-6(Diethyl propylmalonate)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 759-36-4(Diethyl isopropylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
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