| CAS Number | 1225511-16-9 |
| Catalog Number | AG01E8DO |
| Chemical Name | 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid |
| InChI | InChI=1S/C12H12N2O2/c1-7-4-3-5-9(6-7)11-13-8(2)10(14-11)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16) |
| InChI Key | QKGAYNNYZHJULN-UHFFFAOYSA-N |
| MDL Number | MFCD16153809 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | CC1=C(C(O)=O)N=C(C2=CC(C)=CC=C2)N1 |
| Synonyms | 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid,
CHEMBL1269152,
1225511-16-9,
BDBM50329860,
ZINC41228795,
AKOS010124496,
MCULE-7475507682,
NE29492,
5-methyl-2-m-tolyl-1H-imidazole-4-carboxylic acid,
Z1536936188,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number