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124750-59-0 | 1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-, 4,5-dimethyl ester
CAS No: 124750-59-0 Catalog No: AG000MPV MDL No:MFCD09743546
Product Description
Catalog Number:
AG000MPV
Chemical Name:
1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-, 4,5-dimethyl ester
CAS Number:
124750-59-0
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
MDL Number:
MFCD09743546
IUPAC Name:
dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
InChI:
InChI=1S/C10H14N2O4/c1-4-5-6-11-7(9(13)15-2)8(12-6)10(14)16-3/h4-5H2,1-3H3,(H,11,12)
InChI Key:
FGBHVVBYDOTMMD-UHFFFAOYSA-N
SMILES:
CCCc1[nH]c(c(n1)C(=O)OC)C(=O)OC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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