Cas no 70869-89-5 (Methyl 3-cyanoisoxazole-5-carboxylate)
70869-89-5 structure
Product Name:Methyl 3-cyanoisoxazole-5-carboxylate
CAS No:70869-89-5
MF:C6H4N2O3
MW:152.10756111145
CID:874400
Update Time:2023-08-02
Methyl 3-cyanoisoxazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxylicacid,3-cyano-,methylester(9CI)
- methyl 3-cyanoisoxazole-5-carboxylate
- Methyl 3-cyanoisoxazole-5-carboxylate
-
- Inchi： 1S/C6H4N2O3/c1-10-6(9)5-2-4(3-7)8-11-5/h2H,1H3
- InChI Key： XABCUGDLJBCXRU-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OC)=CC(C#N)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 207
- Topological Polar Surface Area: 76.1
Methyl 3-cyanoisoxazole-5-carboxylate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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