| CAS Number | 1803599-50-9 |
| Catalog Number | AG01AC3M |
| Chemical Name | methyl 3-(carbamoylmethoxy)-4-methylbenzoate |
| IUPAC Name | methyl 3-(2-amino-2-oxoethoxy)-4-methylbenzoate |
| InChI | InChI=1S/C11H13NO4/c1-7-3-4-8(11(14)15-2)5-9(7)16-6-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13) |
| InChI Key | PFXKCTCZADTLAF-UHFFFAOYSA-N |
| MDL Number | MFCD26407854 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | COC(C1=CC(OCC(N)=O)=C(C)C=C1)=O |
| Synonyms | methyl 3-(carbamoylmethoxy)-4-methylbenzoate,
1803599-50-9,
ZINC48499346,
EN300-137513,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number