| CAS Number | 929975-43-9 |
| Catalog Number | AG019KGJ |
| Chemical Name | 2-(2-oxo-6-sulfamoyl-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid |
| IUPAC Name | 2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetic acid |
| InChI | InChI=1S/C9H8N2O6S/c10-18(15,16)5-1-2-6-7(3-5)17-9(14)11(6)4-8(12)13/h1-3H,4H2,(H,12,13)(H2,10,15,16) |
| InChI Key | BMGRDOBVZXLURN-UHFFFAOYSA-N |
| MDL Number | MFCD09040435 |
| Molecular Formula | C9H8N2O6S |
| Molecular Weight | 272.2346 |
| SMILES | NS(C1=CC2=C(N(C(O2)=O)CC(O)=O)C=C1)(=O)=O |
| Synonyms | 2-(2-oxo-6-sulfamoyl-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid,
929975-43-9,
[6-(aminosulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]acetic acid,
AC1Q55F9,
ZINC12505302,
AKOS033871159,
MCULE-5391419973,
NE38951,
EN300-26865,
Z235342023,
|
| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.231g/mol |
| Monoisotopic Mass | 272.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number