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117120-98-6 | 1H-Imidazole-4,5-dicarboxylic acid, 1,2-dimethyl-, 4,5-dimethyl ester
CAS No: 117120-98-6 Catalog No: AG000DRE MDL No:
Product Description
Catalog Number:
AG000DRE
Chemical Name:
1H-Imidazole-4,5-dicarboxylic acid, 1,2-dimethyl-, 4,5-dimethyl ester
CAS Number:
117120-98-6
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
dimethyl 1,2-dimethylimidazole-4,5-dicarboxylate
InChI:
InChI=1S/C9H12N2O4/c1-5-10-6(8(12)14-3)7(11(5)2)9(13)15-4/h1-4H3
InChI Key:
JCVUBYXUDUCWFG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(nc(n1C)C)C(=O)OC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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