| CAS Number | 38499-95-5 |
| Catalog Number | AG0079C3(AGN-PC-05MHMN) |
| Chemical Name | methyl 4-methoxy-3-sulfamoylbenzoate |
| IUPAC Name | methyl 4-methoxy-3-sulfamoylbenzoate |
| InChI | InChI=1S/C9H11NO5S/c1-14-7-4-3-6(9(11)15-2)5-8(7)16(10,12)13/h3-5H,1-2H3,(H2,10,12,13) |
| InChI Key | RGFZGFGNWDFHJI-UHFFFAOYSA-N |
| MDL Number | MFCD11057852 |
| Molecular Formula | C9H11NO5S |
| Molecular Weight | 245.2523 |
| SMILES | COC1=C(C=C(C(=O)OC)C=C1)S(N)(=O)=O |
| Synonyms | 38499-95-5,
Benzoic acid, 3-(aminosulfonyl)-4-methoxy-, methyl ester,
Methyl 4-methoxy-3-sulfamoylbenzoate,
CTK1B4821,
DTXSID30652753,
AKOS002670997,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.249g/mol |
| Monoisotopic Mass | 245.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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