| CAS Number | 13870-58-1 |
| Catalog Number | AG019WHH |
| Chemical Name | 4-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzoic acid |
| IUPAC Name | 4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzoic acid |
| InChI | InChI=1S/C11H10N2O3/c1-7-6-12-11(16)13(7)9-4-2-8(3-5-9)10(14)15/h2-6H,1H3,(H,12,16)(H,14,15) |
| InChI Key | SQRRUHFHYXAIAF-UHFFFAOYSA-N |
| MDL Number | MFCD12913044 |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.2087 |
| SMILES | CC1N(C2=CC=C(C(O)=O)C=C2)C(=O)NC=1 |
| Synonyms | 4-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzoic acid,
13870-58-1,
CTK7I7973,
ZINC36379820,
AKOS023772353,
MCULE-1542526023,
EN300-51997,
Z744781034,
AC1Q2OK1,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.069142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.21g/mol |
| Monoisotopic Mass | 218.069142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number