Cas no 827042-65-9 (1H-Benzimidazole-2-carboxylic acid, 4,5-dimethyl-)
827042-65-9 structure
Product Name:1H-Benzimidazole-2-carboxylic acid, 4,5-dimethyl-
CAS No:827042-65-9
MF:C10H10N2O2
MW:190.198602199554
CID:685861
PubChem ID:71417713
Update Time:2025-04-19
1H-Benzimidazole-2-carboxylic acid, 4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carboxylic acid, 4,5-dimethyl-
- 4,5-dimethyl-1H-benzimidazole-2-carboxylic acid
- 827042-65-9
- DTXSID30837048
-
- Inchi： 1S/C10H10N2O2/c1-5-3-4-7-8(6(5)2)12-9(11-7)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
- InChI Key： CCWHCCHRNBYJRZ-UHFFFAOYSA-N
- SMILES： OC(C1=NC2=C(C=CC(C)=C2C)N1)=O
Computed Properties
- Exact Mass: 190.074227566g/mol
- Monoisotopic Mass: 190.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 2.1
- Topological Polar Surface Area: 66?2
1H-Benzimidazole-2-carboxylic acid, 4,5-dimethyl- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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