Cas no 121180-90-3 (2-Pyridinecarbonitrile,4-[(hydroxyimino)methyl]-)
121180-90-3 structure
Product Name:2-Pyridinecarbonitrile,4-[(hydroxyimino)methyl]-
CAS No:121180-90-3
MF:C7H5N3O
MW:147.134100675583
CID:104798
Update Time:2024-01-24
2-Pyridinecarbonitrile,4-[(hydroxyimino)methyl]- Chemical and Physical Properties
Names and Identifiers
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- 2-Pyridinecarbonitrile,4-[(hydroxyimino)methyl]-
- 2-Pyridinecarbonitrile,4-[(hydroxyimino)methyl]-(9CI)
- 2-Pyridinecarbonitrile, 4-[(hydroxyimino)methyl]-
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- Inchi: 1S/C7H5N3O/c8-4-7-3-6(5-10-11)1-2-9-7/h1-3,5,11H
- InChI Key: UZTQNYALFREUOZ-UHFFFAOYSA-N
- SMILES: C1(C#N)=NC=CC(C=NO)=C1
Computed Properties
- Exact Mass: 147.043
- Monoisotopic Mass: 147.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 303
- 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: 65.2A^2
Experimental Properties
- Density: 1.22±0.1 g/cm3(Predicted)
- Boiling Point: 323.0±27.0 °C(Predicted)
- pka: 9.45±0.20(Predicted)
2-Pyridinecarbonitrile,4-[(hydroxyimino)methyl]- Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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