Cas no 802858-09-9 (1H-Benzimidazole-6,7-diol,2-methyl-)
802858-09-9 structure
Product Name:1H-Benzimidazole-6,7-diol,2-methyl-
CAS No:802858-09-9
MF:C8H8N2O2
MW:164.161321640015
CID:713921
PubChem ID:45120872
Update Time:2025-04-19
1H-Benzimidazole-6,7-diol,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-6,7-diol,2-methyl-
- 4,5-Benzimidazolediol, 2-methyl- (8CI)
- SCHEMBL6657865
- 802858-09-9
- 4,5-Benzimidazolediol,2-methyl-(8ci)
-
- Inchi： 1S/C8H8N2O2/c1-4-9-5-2-3-6(11)8(12)7(5)10-4/h2-3,11-12H,1H3,(H,9,10)
- InChI Key： GXFRFJURPHUASB-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC2=C1N=C(C)N2)O
Computed Properties
- Exact Mass: 164.059
- Monoisotopic Mass: 164.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 176
- 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: 1.2
1H-Benzimidazole-6,7-diol,2-methyl- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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