Cas no 111210-09-4 (1H-Benzimidazole-4,7-diol,2-(hydroxymethyl)-)
111210-09-4 structure
Product Name:1H-Benzimidazole-4,7-diol,2-(hydroxymethyl)-
CAS No:111210-09-4
MF:C8H8N2O3
MW:180.16072177887
CID:129174
PubChem ID:13972353
Update Time:2025-04-18
1H-Benzimidazole-4,7-diol,2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-4,7-diol,2-(hydroxymethyl)-
- 1H-Benzimidazole-4,7-diol,2-(hydroxymethyl)-(9CI)
- 2-(hydroxymethyl)-1H-benzimidazole-4,7-diol
- 111210-09-4
- 2-(Hydroxymethyl)-1H-benzo[d]imidazole-4,7-diol
-
- Inchi： 1S/C8H8N2O3/c11-3-6-9-7-4(12)1-2-5(13)8(7)10-6/h1-2,11-13H,3H2,(H,9,10)
- InChI Key： CFQBVXJWHDQAOJ-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C2=C1NC(CO)=N2)O
Computed Properties
- Exact Mass: 180.05354
- Monoisotopic Mass: 180.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 190
- 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: -0.1
- Topological Polar Surface Area: 89.4?2
Experimental Properties
- PSA: 89.37
1H-Benzimidazole-4,7-diol,2-(hydroxymethyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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