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Home > Imidazoles > 69969-62-6
69969-62-6 | Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-,methyl ester
CAS No: 69969-62-6 Catalog No: AG005SZE MDL No:
Product Description
Catalog Number:
AG005SZE
Chemical Name:
Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-,methyl ester
CAS Number:
69969-62-6
Molecular Formula:
C16H20N2O3
Molecular Weight:
288.3416
IUPAC Name:
methyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
InChI:
InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)11-7-6-10(3)8-12(11)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)
InChI Key:
TYIHVCIQMMTVHE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)ccc1C1=NC(C(=O)N1)(C)C(C)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.347g/mol
Monoisotopic Mass:
288.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Protonation-dissociation reactions of imazamethabenz-methyl and imazamethabenz-Acid in relation to their soil sorption and abiotic degradation. | Journal of agricultural and food chemistry 20091209 |
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