Cas no 89684-59-3 (1,2,4-Benzenetriol, 3-nitro-)
1,2,4-Benzenetriol, 3-nitro- structure
Product Name:1,2,4-Benzenetriol, 3-nitro-
CAS No:89684-59-3
MF:C6H5NO5
MW:171.107601881027
CID:592366
PubChem ID:13305874
Update Time:2025-04-19
1,2,4-Benzenetriol, 3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetriol, 3-nitro-
- 3-nitrobenzene-1,2,4-triol
- 89684-59-3
- DTXSID10536002
-
- Inchi： 1S/C6H5NO5/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,8-10H
- InChI Key： PZAHFKBKZUKMIS-UHFFFAOYSA-N
- SMILES： OC1C(=CC=C(C=1[N+](=O)[O-])O)O
Computed Properties
- Exact Mass: 171.01677226g/mol
- Monoisotopic Mass: 171.01677226g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 179
- 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: 1.9
- Topological Polar Surface Area: 107?2
1,2,4-Benzenetriol, 3-nitro- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
89684-59-3 (1,2,4-Benzenetriol, 3-nitro-) Related Products
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