| CAS Number | 7671-90-1 |
| Catalog Number | AG005AJ5(AGN-PC-0UAE1L) |
| Chemical Name | Ethyl 2-(2-acetamidophenyl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(2-acetamidophenyl)-2-oxoacetate |
| InChI | InChI=1S/C12H13NO4/c1-3-17-12(16)11(15)9-6-4-5-7-10(9)13-8(2)14/h4-7H,3H2,1-2H3,(H,13,14) |
| InChI Key | PWMFAHBJVNTTIL-UHFFFAOYSA-N |
| MDL Number | MFCD00440213 |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.2359 |
| NSC Number | 297396 |
| SMILES | CCOC(C(C1=C(NC(C)=O)C=CC=C1)=O)=O |
| Synonyms | ethyl 2-(2-acetamidophenyl)-2-oxoacetate,
7671-90-1,
ETHYL 2-(2-ACETAMIDOPHENYL)-2-OXO-ACETATE,
5323-91-1,
NSC297396,
AC1L6Y5J,
AC1Q31WX,
CTK5E3339,
ZINC1746609,
AKOS002348425,
MCULE-7284236704,
NSC-297396,
AB00080750-01,
(2-acetylamino-phenyl)-glyoxylic acid ethyl ester,
SR-01000204607,
SR-01000204607-1,
alpha-Oxo-2-(acetylamino)benzeneacetic acid ethyl ester,
F3096-2613,
CID326337,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.239g/mol |
| Monoisotopic Mass | 235.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number