| CAS Number | 203442-83-5 |
| Catalog Number | AG01A5GO(AGN-PC-0O7AS3) |
| Chemical Name | Methyl 4-(methoxy(methyl)carbamoyl)benzoate |
| IUPAC Name | methyl 4-[methoxy(methyl)carbamoyl]benzoate |
| InChI | InChI=1S/C11H13NO4/c1-12(16-3)10(13)8-4-6-9(7-5-8)11(14)15-2/h4-7H,1-3H3 |
| InChI Key | WSFWZFRKCJTFMV-UHFFFAOYSA-N |
| MDL Number | MFCD12406924 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | CON(C(=O)C1=CC=C(C(=O)OC)C=C1)C |
| Synonyms | methyl 4-[methoxy(methyl)carbamoyl]benzoate,
203442-83-5,
Methyl 4-(N-methoxy-N-methylcarbamoyl)benzoate,
methyl 4-(methoxy(methyl)carbamoyl)benzoate,
SCHEMBL1765450,
WSFWZFRKCJTFMV-UHFFFAOYSA-N,
ZINC57783713,
AKOS026706063,
NE62191,
FT-0702559,
A1-06098,
N-Methoxy-N-methyl-terephthalamic acid methyl ester,
F1903-0086,
|
| Complexity | 259 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number