Cas no 1149383-69-6 (7-methyl-1H-Benzimidazole-6-carboxylic acid)
1149383-69-6 structure
Product Name:7-methyl-1H-Benzimidazole-6-carboxylic acid
CAS No:1149383-69-6
MF:C9H8N2O2
MW:176.172021865845
CID:1099830
PubChem ID:57748439
Update Time:2025-04-20
7-methyl-1H-Benzimidazole-6-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 7-methyl-1H-Benzimidazole-6-carboxylic acid
- 7-Methyl-1H-benzo[d]imidazole-6-carboxylic acid
- QKIANJHHOAKPEC-UHFFFAOYSA-N
- DB-359872
- SCHEMBL2425108
- 1149383-69-6
-
- Inchi： 1S/C9H8N2O2/c1-5-6(9(12)13)2-3-7-8(5)11-4-10-7/h2-4H,1H3,(H,10,11)(H,12,13)
- InChI Key： QKIANJHHOAKPEC-UHFFFAOYSA-N
- SMILES： OC(C1C=CC2=C(C=1C)N=CN2)=O
Computed Properties
- Exact Mass: 176.058577502g/mol
- Monoisotopic Mass: 176.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 220
- 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: 1.4
- Topological Polar Surface Area: 66?2
7-methyl-1H-Benzimidazole-6-carboxylic acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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