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128293-64-1 | 1H-Imidazole-2-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-
CAS No: 128293-64-1 Catalog No: AG000XXM MDL No:MFCD03093495
Product Description
Catalog Number:
AG000XXM
Chemical Name:
1H-Imidazole-2-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-
CAS Number:
128293-64-1
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
MDL Number:
MFCD03093495
IUPAC Name:
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid
InChI:
InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15/h5H,1-4H3,(H,12,16)(H,14,15)
InChI Key:
GZBSJWBQXNCOFP-UHFFFAOYSA-N
SMILES:
O=C(Nc1nc(n(c1)C)C(=O)O)OC(C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.247g/mol
Monoisotopic Mass:
241.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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