| CAS Number | 1354954-25-8 |
| Catalog Number | AG019RR9 |
| Chemical Name | 4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid |
| IUPAC Name | 4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid |
| InChI | InChI=1S/C11H12N2O4/c1-17-9-3-2-7(10(14)15)6-8(9)13-5-4-12-11(13)16/h2-3,6H,4-5H2,1H3,(H,12,16)(H,14,15) |
| InChI Key | LIPDGLVHPHKJCM-UHFFFAOYSA-N |
| MDL Number | MFCD18613904 |
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.2240 |
| SMILES | COC1=C(N2C(=O)NCC2)C=C(C(O)=O)C=C1 |
| Synonyms | 4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid,
1354954-25-8,
ZINC71373286,
AKOS013055532,
MCULE-6688315690,
NE19666,
EN300-90254,
Z1262237270,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.227g/mol |
| Monoisotopic Mass | 236.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number