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126664-27-5 | 1H-Imidazole-1-propanoic acid, 2-methyl-4-nitro-, ethyl ester
CAS No: 126664-27-5 Catalog No: AG000T3A MDL No:
Product Description
Catalog Number:
AG000T3A
Chemical Name:
1H-Imidazole-1-propanoic acid, 2-methyl-4-nitro-, ethyl ester
CAS Number:
126664-27-5
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
IUPAC Name:
ethyl 3-(2-methyl-4-nitroimidazol-1-yl)propanoate
InChI:
InChI=1S/C9H13N3O4/c1-3-16-9(13)4-5-11-6-8(12(14)15)10-7(11)2/h6H,3-5H2,1-2H3
InChI Key:
HRWQGIHOXGZPQE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(n1)C)CCC(=O)OCC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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