Cas no 162330-52-1 (5-Isoxazolecarboxamide,3-[(Z)-(hydroxyamino)iminomethyl]- (9CI))
![5-Isoxazolecarboxamide,3-[(Z)-(hydroxyamino)iminomethyl]- (9CI) structure](https://ossimg.kuujia.com/scimg/162500/162330-52-1x500.png)
162330-52-1 structure
Product Name:5-Isoxazolecarboxamide,3-[(Z)-(hydroxyamino)iminomethyl]- (9CI)
CAS No:162330-52-1
MF:C5H6N4O3
MW:170.126140117645
CID:109959
Update Time:2022-07-26
5-Isoxazolecarboxamide,3-[(Z)-(hydroxyamino)iminomethyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 5-Isoxazolecarboxamide,3-[(Z)-(hydroxyamino)iminomethyl]- (9CI)
- 5-Isoxazolecarboxamide,3-[(Z)-(hydroxyamino)iminomethyl]-(9CI)
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- Inchi： 1S/C5H6N4O3/c6-5(10)4-1-3(8-12-4)2-7-9-11/h1-2,9,11H,(H2,6,10)/b7-2-
- InChI Key： LFWXSOCSNMUJSZ-UQCOIBPSSA-N
- SMILES： O1C(C(N)=O)=CC(/C=N\NO)=N1
Computed Properties
- Exact Mass: 170.044
- Monoisotopic Mass: 170.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 106A^2
5-Isoxazolecarboxamide,3-[(Z)-(hydroxyamino)iminomethyl]- (9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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