| CAS Number | 23754-46-3 |
| Catalog Number | AG01FOJT(AGN-PC-0031NM) |
| Chemical Name | Methyl 4-[(methylamino)carbonyl]benzoate |
| IUPAC Name | methyl 4-(methylcarbamoyl)benzoate |
| InChI | InChI=1S/C10H11NO3/c1-11-9(12)7-3-5-8(6-4-7)10(13)14-2/h3-6H,1-2H3,(H,11,12) |
| InChI Key | GPKGXCWOCAUNLQ-UHFFFAOYSA-N |
| MDL Number | MFCD00100430 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | CNC(=O)C1=CC=C(C(=O)OC)C=C1 |
| Synonyms | methyl 4-(methylaminocarbonyl)benzoate,
Methyl 4-(methylcarbamoyl)benzoate,
N-Methyl-terephthalamic acid methyl ester,
23754-46-3,
N-methyl-p-carbmethoxybenzamide,
SCHEMBL1763760,
GPKGXCWOCAUNLQ-UHFFFAOYSA-N,
ZINC34410955,
AKOS006242247,
MCULE-6131546819,
4-(Methylcarbamoyl)benzoic acid methyl ester,
Z32016769,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number