Cas no 45859-43-6 (1H-Benzimidazole-4,5-diol(9CI))
45859-43-6 structure
Product Name:1H-Benzimidazole-4,5-diol(9CI)
CAS No:45859-43-6
MF:C7H6N2O2
MW:150.134741306305
CID:325464
PubChem ID:45078396
Update Time:2025-04-19
1H-Benzimidazole-4,5-diol(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-4,5-diol(9CI)
- 1H-benzimidazole-4,5-diol
- 45859-43-6
- DTXSID40663512
-
- Inchi： 1S/C7H6N2O2/c10-5-2-1-4-6(7(5)11)9-3-8-4/h1-3,10-11H,(H,8,9)
- InChI Key： MPIDSSVAJQQYJS-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC2=C1N=CN2)O
Computed Properties
- Exact Mass: 150.043
- Monoisotopic Mass: 150.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 153
- 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
- Topological Polar Surface Area: 69.1A^2
- XLogP3: 0.8
1H-Benzimidazole-4,5-diol(9CI) Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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