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115868-55-8 | 1H-Imidazole-5-carboxylic acid, 4-methyl-2-(4-methylphenyl)-, ethyl ester
CAS No: 115868-55-8 Catalog No: AG000GZE MDL No:
Product Description
Catalog Number:
AG000GZE
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-methyl-2-(4-methylphenyl)-, ethyl ester
CAS Number:
115868-55-8
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
ethyl 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C14H16N2O2/c1-4-18-14(17)12-10(3)15-13(16-12)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,15,16)
InChI Key:
JPZMORQMLXMOSQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(nc1C)c1ccc(cc1)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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