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Home > Imidazoles > 1533441-28-9
1533441-28-9 | 5-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)-2,4-dimethylbenzoic acid
CAS No: 1533441-28-9 Catalog No: AG01DIE6 MDL No:
Product Description
Catalog Number:
AG01DIE6
Chemical Name:
5-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)-2,4-dimethylbenzoic acid
CAS Number:
1533441-28-9
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
5-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)-2,4-dimethylbenzoic acid
InChI:
InChI=1S/C16H18N2O2/c1-8-6-9(2)13(16(19)20)7-12(8)14-10(3)17-15(18-14)11-4-5-11/h6-7,11H,4-5H2,1-3H3,(H,17,18)(H,19,20)
InChI Key:
TZBFHWQUMXSKER-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(cc1c1nc([nH]c1C)C1CC1)C(=O)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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