Cas no 89128-06-3 (1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester)
89128-06-3 structure
Product Name:1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester
CAS No:89128-06-3
MF:C8H11N3O5
MW:229.190041780472
CID:611482
PubChem ID:21724488
Update Time:2025-04-19
1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester
- ethyl 2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]acetate
- DTXSID70617402
- 89128-06-3
- Ethyl [2-(hydroxymethyl)-5-nitro-1H-imidazol-1-yl]acetate
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- Inchi： 1S/C8H11N3O5/c1-2-16-8(13)4-10-6(5-12)9-3-7(10)11(14)15/h3,12H,2,4-5H2,1H3
- InChI Key： MCKNRYOBKKBJHA-UHFFFAOYSA-N
- SMILES： O(CC)C(CN1C(=CN=C1CO)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 229.06987046g/mol
- Monoisotopic Mass: 229.06987046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 267
- 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: -0.7
- Topological Polar Surface Area: 110?2
1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
89128-06-3 (1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester) Related Products
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