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128293-63-0 | 1H-IMidazole-2-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-Methyl-, ethyl ester
CAS No: 128293-63-0 Catalog No: AG000XXN MDL No:MFCD16876078
Product Description
Catalog Number:
AG000XXN
Chemical Name:
1H-IMidazole-2-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-Methyl-, ethyl ester
CAS Number:
128293-63-0
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
MDL Number:
MFCD16876078
IUPAC Name:
ethyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate
InChI:
InChI=1S/C12H19N3O4/c1-6-18-10(16)9-13-8(7-15(9)5)14-11(17)19-12(2,3)4/h7H,6H2,1-5H3,(H,14,17)
InChI Key:
VKDFVUFMCCONBE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(cn1C)NC(=O)OC(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.301g/mol
Monoisotopic Mass:
269.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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