| CAS Number | 152019-74-4 |
| Catalog Number | AG007JSL(AGN-PC-05EGSV) |
| Chemical Name | 2-((2-Ethyl-6-methylphenyl)amino)-2-oxoacetic acid |
| IUPAC Name | 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid |
| InChI | InChI=1S/C11H13NO3/c1-3-8-6-4-5-7(2)9(8)12-10(13)11(14)15/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15) |
| InChI Key | SAWXESXDACFEPC-UHFFFAOYSA-N |
| MDL Number | MFCD10018455 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | CCc1cccc(c1NC(=O)C(=O)O)C |
| Synonyms | S-Metolachlor Metabolite CGA 50720,
152019-74-4,
2-(2-ethyl-6-methylanilino)-2-oxoacetic acid,
S-Metolachlor CGA 50720,
CTK8E7572,
DTXSID80651579,
ZINC20185076,
N-(2-Ethyl-6-methylphenyl)-oxalamic acid,
(2-Ethyl-6-methylanilino)(oxo)acetic acid,
RT-015613,
[(2-Ethyl-6-methylphenyl)amino]oxo-acetic acid,
J-008875,
S-Metolachlor Metabolite CGA 50720, PESTANAL(R), analytical standard,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number