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144167-57-7 | 1H-Imidazole-2,5-dicarboxylic acid, 2-ethyl 5-methyl ester
CAS No: 144167-57-7 Catalog No: AG001J12 MDL No:
Product Description
Catalog Number:
AG001J12
Chemical Name:
1H-Imidazole-2,5-dicarboxylic acid, 2-ethyl 5-methyl ester
CAS Number:
144167-57-7
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
2-O-ethyl 5-O-methyl 1H-imidazole-2,5-dicarboxylate
InChI:
InChI=1S/C8H10N2O4/c1-3-14-8(12)6-9-4-5(10-6)7(11)13-2/h4H,3H2,1-2H3,(H,9,10)
InChI Key:
YKAOYBOOEFKHFU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc([nH]1)C(=O)OC
Properties
Complexity:
231
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:
1
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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