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2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid

CAS No.:
1048920-48-4
Catalog Number:
AG01A2QD
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
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Product Description
Catalog Number:
AG01A2QD
Chemical Name:
2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CAS Number:
1048920-48-4
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD12862915
IUPAC Name:
2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C12H12N2O3/c1-7-10(12(15)16)14-11(13-7)8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
AUDLYIASJFZXMS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nc(c([nH]1)C)C(=O)O
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. Bioorganic & medicinal chemistry letters 20101115
Properties