Cas no 88193-62-8 (1H-Benzimidazole-4-pentanoic acid, octahydro-2-oxo-)
88193-62-8 structure
Product Name:1H-Benzimidazole-4-pentanoic acid, octahydro-2-oxo-
CAS No:88193-62-8
MF:C12H20N2O3
MW:240.298803329468
CID:641535
PubChem ID:20274127
Update Time:2025-04-19
1H-Benzimidazole-4-pentanoic acid, octahydro-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-4-pentanoic acid, octahydro-2-oxo-
- 5-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-4-yl)pentanoic acid
- 88193-62-8
- SCHEMBL10979972
- DTXSID80604489
- 5-(2-Oxooctahydro-1H-benzimidazol-4-yl)pentanoic acid
-
- Inchi： 1S/C12H20N2O3/c15-10(16)7-2-1-4-8-5-3-6-9-11(8)14-12(17)13-9/h8-9,11H,1-7H2,(H,15,16)(H2,13,14,17)
- InChI Key： VGKVUTDHOLIXBG-UHFFFAOYSA-N
- SMILES： O=C1NC2CCCC(CCCCC(=O)O)C2N1
Computed Properties
- Exact Mass: 240.14739250g/mol
- Monoisotopic Mass: 240.14739250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 78.4?2
1H-Benzimidazole-4-pentanoic acid, octahydro-2-oxo- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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