| CAS Number | 68790-40-9 |
| Catalog Number | AG019WRO |
| Chemical Name | 2-[(Methoxycarbonyl)(methyl)amino]benzoic acid |
| IUPAC Name | 2-[methoxycarbonyl(methyl)amino]benzoic acid |
| InChI | InChI=1S/C10H11NO4/c1-11(10(14)15-2)8-6-4-3-5-7(8)9(12)13/h3-6H,1-2H3,(H,12,13) |
| InChI Key | VEDYEDNQLTUCIM-UHFFFAOYSA-N |
| MDL Number | MFCD00586669 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | COC(N(C1=C(C(O)=O)C=CC=C1)C)=O |
| Synonyms | 2-[(methoxycarbonyl)(methyl)amino]benzoic acid,
68790-40-9,
CTK6J2778,
ZINC19815738,
AKOS000204089,
MCULE-2396791337,
NE17745,
EN300-52914,
AC1Q44BG,
CID11390167,
2-(methoxycarbonyl-methyl-amino)benzoic Acid,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.068808g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.2g/mol |
| Monoisotopic Mass | 209.068808g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number