| CAS Number | 1343134-58-6 |
| Catalog Number | AG019RYR |
| Chemical Name | 2-Methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid |
| IUPAC Name | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid |
| InChI | InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15) |
| InChI Key | LBXZUEMSUVQWIJ-UHFFFAOYSA-N |
| MDL Number | MFCD17258650 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | CC1=C(C(O)=O)C=CC=C1N1C(=O)NCC1 |
| Synonyms | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid,
1343134-58-6,
ZINC61857529,
AKOS008154423,
MCULE-5168650053,
NE38262,
EN300-91148,
Z1262398497,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number