Cas no 82982-60-3 (Ethanone, 1-[2-(hydroxymethyl)-1H-imidazol-4-yl]-)
![Ethanone, 1-[2-(hydroxymethyl)-1H-imidazol-4-yl]- structure](https://ossimg.kuujia.com/scimg/83000/82982-60-3x500.png)
82982-60-3 structure
Product Name:Ethanone, 1-[2-(hydroxymethyl)-1H-imidazol-4-yl]-
CAS No:82982-60-3
MF:C6H8N2O2
MW:140.139921188354
CID:679801
PubChem ID:13101025
Update Time:2025-04-19
Ethanone, 1-[2-(hydroxymethyl)-1H-imidazol-4-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[2-(hydroxymethyl)-1H-imidazol-4-yl]-
- 1-[2-(hydroxymethyl)-1H-imidazol-5-yl]ethanone
- AKOS006377413
- DTXSID30518163
- AB58097
- SCHEMBL10590211
- 2-hydroxymethyl-4- acetylimidazole
- 1-[2-(Hydroxymethyl)-1H-imidazol-5-yl]ethan-1-one
- 2-hydroxymethyl-4-acetylimidazole
- MGSUZKWFACFSDH-UHFFFAOYSA-N
- 82982-60-3
-
- Inchi： 1S/C6H8N2O2/c1-4(10)5-2-7-6(3-9)8-5/h2,9H,3H2,1H3,(H,7,8)
- InChI Key： MGSUZKWFACFSDH-UHFFFAOYSA-N
- SMILES： OCC1=NC=C(C(C)=O)N1
Computed Properties
- Exact Mass: 140.058577502g/mol
- Monoisotopic Mass: 140.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 138
- 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: -0.8
- Topological Polar Surface Area: 66?2
Ethanone, 1-[2-(hydroxymethyl)-1H-imidazol-4-yl]- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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