Cas no 39036-63-0 (1,2,4-Benzenetricarboxylic acid, 5-methyl-, trimethyl ester)
39036-63-0 structure
Product Name:1,2,4-Benzenetricarboxylic acid, 5-methyl-, trimethyl ester
CAS No:39036-63-0
MF:C13H14O6
MW:266.246664524078
CID:2666952
Update Time:2023-08-06
1,2,4-Benzenetricarboxylic acid, 5-methyl-, trimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- MXOQJMRHFWMQDW-UHFFFAOYSA-N
- 1,2,4-Benzenetricarboxylic acid, 5-methyl-, trimethyl ester
- Trimethyl 5-methyl-1,2,4-benzenetricarboxylate #
- 5-Methyl-1,2,4-benzenetricarboxylic acid trimethyl ester
-
- Inchi： 1S/C13H14O6/c1-7-5-9(12(15)18-3)10(13(16)19-4)6-8(7)11(14)17-2/h5-6H,1-4H3
- InChI Key： MXOQJMRHFWMQDW-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C(=O)OC)C(C(=O)OC)=CC=1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 364
- Topological Polar Surface Area: 78.9
1,2,4-Benzenetricarboxylic acid, 5-methyl-, trimethyl ester Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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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
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