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89128-06-3 | 1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester
CAS No: 89128-06-3 Catalog No: AG003Z54 MDL No:
Product Description
Catalog Number:
AG003Z54
Chemical Name:
1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester
CAS Number:
89128-06-3
Molecular Formula:
C8H11N3O5
Molecular Weight:
229.1900
IUPAC Name:
ethyl 2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]acetate
InChI:
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:
CCOC(=O)Cn1c(CO)ncc1[N+](=O)[O-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.192g/mol
Monoisotopic Mass:
229.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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