| CAS Number | 111691-92-0 |
| Catalog Number | AG007SEQ(AGN-PC-0JCO76) |
| Chemical Name | 2-acetamido-4-methoxy-4-oxobutanoic acid |
| IUPAC Name | 2-acetamido-4-methoxy-4-oxobutanoate |
| InChI | InChI=1S/C7H11NO5/c1-4(9)8-5(7(11)12)3-6(10)13-2/h5H,3H2,1-2H3,(H,8,9)(H,11,12)/p-1 |
| InChI Key | ZDPZXMGPKKVZGD-UHFFFAOYSA-M |
| MDL Number | MFCD20643449 |
| Molecular Formula | C7H11NO5 |
| Molecular Weight | 189.1659 |
| SMILES | COC(CC(C(O)=O)NC(C)=O)=O |
| Synonyms | DL-Aspartic acid, N-acetyl-, 4-methyl ester,
111691-92-0,
ACMC-20melo,
CTK0D3703,
DTXSID50763577,
2-ACETAMIDO-4-METHOXY-4-OXOBUTANOATE,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.056g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.159g/mol |
| Monoisotopic Mass | 188.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number