| CAS Number | 1183819-05-7 |
| Catalog Number | AG01AA01(AGN-PC-0WO0WG) |
| Chemical Name | 5-(methanesulfonamidomethyl)-2-methylfuran-3-carboxylic acid |
| IUPAC Name | 5-(methanesulfonamidomethyl)-2-methylfuran-3-carboxylic acid |
| InChI | InChI=1S/C8H11NO5S/c1-5-7(8(10)11)3-6(14-5)4-9-15(2,12)13/h3,9H,4H2,1-2H3,(H,10,11) |
| InChI Key | MJGREDLUUOXZJV-UHFFFAOYSA-N |
| MDL Number | MFCD12779398 |
| Molecular Formula | C8H11NO5S |
| Molecular Weight | 233.2416 |
| SMILES | CC1=C(C(O)=O)C=C(CNS(C)(=O)=O)O1 |
| Synonyms | 5-(methanesulfonamidomethyl)-2-methylfuran-3-carboxylic acid,
1183819-05-7,
AC1Q2EF9,
ZINC38059933,
AKOS008143106,
MCULE-5443517520,
NE51457,
EN300-66675,
Z1259163780,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.238g/mol |
| Monoisotopic Mass | 233.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number