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117120-99-7 | 1H-Imidazole-4,5-dicarboxylic acid, 2-methoxy-1-methyl-, 4,5-dimethyl ester
CAS No: 117120-99-7 Catalog No: AG000DRD MDL No:
Product Description
Catalog Number:
AG000DRD
Chemical Name:
1H-Imidazole-4,5-dicarboxylic acid, 2-methoxy-1-methyl-, 4,5-dimethyl ester
CAS Number:
117120-99-7
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
IUPAC Name:
dimethyl 2-methoxy-1-methylimidazole-4,5-dicarboxylate
InChI:
InChI=1S/C9H12N2O5/c1-11-6(8(13)15-3)5(7(12)14-2)10-9(11)16-4/h1-4H3
InChI Key:
TWTOJQJEXNCAPE-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(nc(n1C)OC)C(=O)OC
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.204g/mol
Monoisotopic Mass:
228.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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