| CAS Number | 1354949-93-1 |
| Catalog Number | AG01AKUD |
| Chemical Name | 3-methanesulfonamido-4,5-dimethoxybenzoic acid |
| IUPAC Name | 3-(methanesulfonamido)-4,5-dimethoxybenzoic acid |
| InChI | InChI=1S/C10H13NO6S/c1-16-8-5-6(10(12)13)4-7(9(8)17-2)11-18(3,14)15/h4-5,11H,1-3H3,(H,12,13) |
| InChI Key | KYWRGYORRNKLFJ-UHFFFAOYSA-N |
| MDL Number | MFCD20501915 |
| Molecular Formula | C10H13NO6S |
| Molecular Weight | 275.2783 |
| SMILES | COC1=C(OC)C(NS(C)(=O)=O)=CC(C(O)=O)=C1 |
| Synonyms | 3-methanesulfonamido-4,5-dimethoxybenzoic acid,
1354949-93-1,
ZINC71790261,
AKOS024253449,
MCULE-1274451028,
NE25787,
EN300-85304,
Z1268152302,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.275g/mol |
| Monoisotopic Mass | 275.046g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number