Cas no 55357-63-6 (1H-1,2,3-Triazole-4,5-dicarboxylic acid, diethyl ester)
55357-63-6 structure
Product Name:1H-1,2,3-Triazole-4,5-dicarboxylic acid, diethyl ester
CAS No:55357-63-6
MF:C8H11N3O4
MW:213.190641641617
CID:352185
PubChem ID:301687
Update Time:2025-04-19
1H-1,2,3-Triazole-4,5-dicarboxylic acid, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,2,3-Triazole-4,5-dicarboxylic acid, diethyl ester
- diethyl 2H-triazole-4,5-dicarboxylate
- SCHEMBL5648877
- Diethyl 1H-1,2,3-triazole-4,5-dicarboxylate
- 55357-63-6
- DTXSID10306782
-
- Inchi： 1S/C8H11N3O4/c1-3-14-7(12)5-6(10-11-9-5)8(13)15-4-2/h3-4H2,1-2H3,(H,9,10,11)
- InChI Key： YKRCXWLNDONGHS-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(C(=O)OCC)=NNN=1)=O
Computed Properties
- Exact Mass: 213.07503
- Monoisotopic Mass: 213.07495584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 222
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 94.2?2
Experimental Properties
- PSA: 94.17
1H-1,2,3-Triazole-4,5-dicarboxylic acid, diethyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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