Cas no 458543-75-4 ( )
structure
Product Name:
CAS No:458543-75-4
MF:C7H9N3O2
MW:167.165261030197
CID:877201
Update Time:2026-04-29
Chemical and Physical Properties
Names and Identifiers
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- Inchi: InChI=1S/C7H9N3O2/c1-4-5(8)6(7(11)12-2)10-3-9-4/h3H,8H2,1-2H3
- InChI Key: QVZJFPOCCWGFDB-UHFFFAOYSA-N
- SMILES: CC1=C(C(=NC=N1)C(=O)OC)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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