| CAS Number | 1249328-87-7 |
| Catalog Number | AG01BD5Y(AGN-PC-0WOW40) |
| Chemical Name | 4-(1H-imidazol-1-yl)-2-methylbenzoic acid |
| IUPAC Name | 4-imidazol-1-yl-2-methylbenzoic acid |
| InChI | InChI=1S/C11H10N2O2/c1-8-6-9(13-5-4-12-7-13)2-3-10(8)11(14)15/h2-7H,1H3,(H,14,15) |
| InChI Key | DNXVJPKGBWVABF-UHFFFAOYSA-N |
| MDL Number | MFCD16686646 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | CC1=C(C(O)=O)C=CC(N2C=NC=C2)=C1 |
| Synonyms | 4-(1H-imidazol-1-yl)-2-methylbenzoic acid,
1249328-87-7,
SCHEMBL3850436,
ZINC50577054,
AKOS011416734,
MCULE-7939331080,
NE51656,
Z1837073451,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number