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84198-72-1 | 1H-Imidazole-2,4-dicarboxylic acid, 1-methyl-, dimethyl ester
CAS No: 84198-72-1 Catalog No: AG004OYY MDL No:
Product Description
Catalog Number:
AG004OYY
Chemical Name:
1H-Imidazole-2,4-dicarboxylic acid, 1-methyl-, dimethyl ester
CAS Number:
84198-72-1
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
dimethyl 1-methylimidazole-2,4-dicarboxylate
InChI:
InChI=1S/C8H10N2O4/c1-10-4-5(7(11)13-2)9-6(10)8(12)14-3/h4H,1-3H3
InChI Key:
JDFPZBAIRVXQKW-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(n(c1)C)C(=O)OC
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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