Cas no 507473-06-5 (Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate)
507473-06-5 structure
Product Name:Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate
CAS No:507473-06-5
MF:C6H9N3O2
MW:155.154560804367
CID:1018945
Update Time:2023-08-02
Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,2,3-Triazole-4-carboxylicacid,5-methyl-,ethylester(9CI)
- Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate
- Ethyl 4-methyl-1H-1,2,3-triazole-5-carboxylate
- ethyl 5-methyl-2H-1,2,3-triazole-4-carboxylate
- 1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-, ethyl ester
- AVSQIANZTCVZNC-UHFFFAOYSA-N
- BDBM50390970
- A25696
- Z2037296673
- 5-Methyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
- 1H-1,2,3-Triazole-
-
- Inchi： 1S/C6H9N3O2/c1-3-11-6(10)5-4(2)7-9-8-5/h3H2,1-2H3,(H,7,8,9)
- InChI Key： AVSQIANZTCVZNC-UHFFFAOYSA-N
- SMILES： O(C(C1C(C)=NNN=1)=O)CC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 151
- Topological Polar Surface Area: 67.9
Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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