Cas no 804435-88-9 (3-Isoxazolecarboxylicacid, 5-methyl-, 2-pentylhydrazide)
804435-88-9 structure
Product Name:3-Isoxazolecarboxylicacid, 5-methyl-, 2-pentylhydrazide
CAS No:804435-88-9
MF:C10H17N3O2
MW:211.260882139206
CID:714293
PubChem ID:56837
Update Time:2025-04-19
3-Isoxazolecarboxylicacid, 5-methyl-, 2-pentylhydrazide Chemical and Physical Properties
Names and Identifiers
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- 3-Isoxazolecarboxylicacid, 5-methyl-, 2-pentylhydrazide
- 3-Isoxazolecarboxylicacid,5-methyl-,2-pentylhydrazide(9CI)
- 5-Methyl-N'-pentylisoxazole-3-carbohydrazide
- 804435-88-9
-
- Inchi： 1S/C10H17N3O2/c1-3-4-5-6-11-12-10(14)9-7-8(2)15-13-9/h7,11H,3-6H2,1-2H3,(H,12,14)
- InChI Key： CPIGAJAJPFSXGZ-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C(NNCCCCC)=O)=N1
Computed Properties
- Exact Mass: 211.132076794g/mol
- Monoisotopic Mass: 211.132076794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 199
- 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: 1.8
- Topological Polar Surface Area: 67.2?2
3-Isoxazolecarboxylicacid, 5-methyl-, 2-pentylhydrazide Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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