Cas no 1733-16-0 (1,1,3-Propanetricarboxylicacid, 1,1,3-trimethyl ester)
1733-16-0 structure
Product Name:1,1,3-Propanetricarboxylicacid, 1,1,3-trimethyl ester
1,1,3-Propanetricarboxylicacid, 1,1,3-trimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,1,3-Propanetricarboxylicacid, 1,1,3-trimethyl ester
- trimethyl propane-1,1,3-tricarboxylate
- trimethyl propane-1,2,3-tricarboxylate
- 1,1,3-Propanetricarboxylic acid, trimethyl ester
- 1,1,3-Propanetricarboxylic acid trimethyl ester
- 1,1,3-TRIMETHYL PROPANE-1,1,3-TRICARBOXYLATE
- NTXSDWDNMMMUIO-UHFFFAOYSA-N
- NS00025685
- EINECS 217-066-3
- 1,1,3-Propanetricarboxylic acid, 1,1,3-trimethyl ester
- DTXSID7061930
- AMY24037
- 1733-16-0
- SCHEMBL8686256
-
- Inchi： 1S/C9H14O6/c1-13-7(10)5-4-6(8(11)14-2)9(12)15-3/h6H,4-5H2,1-3H3
- InChI Key： NTXSDWDNMMMUIO-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(=O)OC)CCC(=O)OC)=O
Computed Properties
- Exact Mass: 218.07902
- Monoisotopic Mass: 218.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.9A^2
- XLogP3: 0.4
Experimental Properties
- Density: 1.161
- Boiling Point: 240.6°Cat760mmHg
- Flash Point: 96.9°C
- Refractive Index: 1.434
- PSA: 78.9
1,1,3-Propanetricarboxylicacid, 1,1,3-trimethyl ester Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
1733-16-0 (1,1,3-Propanetricarboxylicacid, 1,1,3-trimethyl ester) Related Products
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- 6914-71-2(Dimethyl 1,1-Cyclopropanedicarboxylate)
- 10420-33-4(1,4-dimethyl 2-acetylbutanedioate)
- 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)
- 2163-48-6(Diethyl propylmalonate)
- 10203-58-4(Diethyl isobutylmalonate)
- 759-36-4(Diethyl isopropylmalonate)
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