| CAS Number | 1283109-17-0 |
| Catalog Number | AG01APTS |
| Chemical Name | 4-(3-Methyl-2-oxoimidazolidin-1-yl)benzoic acid |
| IUPAC Name | 4-(3-methyl-2-oxoimidazolidin-1-yl)benzoic acid |
| InChI | InChI=1S/C11H12N2O3/c1-12-6-7-13(11(12)16)9-4-2-8(3-5-9)10(14)15/h2-5H,6-7H2,1H3,(H,14,15) |
| InChI Key | YUFVAODJXAAQBU-UHFFFAOYSA-N |
| MDL Number | MFCD21091968 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | CN1C(=O)N(C2=CC=C(C(O)=O)C=C2)CC1 |
| Synonyms | 4-(3-methyl-2-oxoimidazolidin-1-yl)benzoic acid,
1283109-17-0,
ZINC61957968,
AKOS015958302,
F2147-0878,
|
| Complexity | 298 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number