| CAS Number | 652992-47-7 |
| Catalog Number | AG006TLP(AGN-PC-0CJIU5) |
| Chemical Name | 3-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid |
| IUPAC Name | 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid |
| InChI | InChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-3-6(5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17) |
| InChI Key | JGUDKWCSKIHORD-UHFFFAOYSA-N |
| MDL Number | MFCD22392274 |
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.2081 |
| SMILES | CC1(C2=CC(C(O)=O)=CC=C2)C(=O)NC(=O)N1 |
| Synonyms | 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid,
652992-47-7,
Benzoic acid, 3-(4-methyl-2,5-dioxo-4-imidazolidinyl)-,
CTK1J7584,
DTXSID10729750,
AKOS017929424,
MCULE-2024632737,
NE19401,
Z1459934807,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.211g/mol |
| Monoisotopic Mass | 234.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number