| CAS Number | 854035-86-2 |
| Catalog Number | AG019K0K |
| Chemical Name | 2-[5-(diethylsulfamoyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid |
| IUPAC Name | 2-[5-(diethylsulfamoyl)-2-oxopyridin-1-yl]acetic acid |
| InChI | InChI=1S/C11H16N2O5S/c1-3-13(4-2)19(17,18)9-5-6-10(14)12(7-9)8-11(15)16/h5-7H,3-4,8H2,1-2H3,(H,15,16) |
| InChI Key | PAGBNETUTYKLIL-UHFFFAOYSA-N |
| MDL Number | MFCD06655178 |
| Molecular Formula | C11H16N2O5S |
| Molecular Weight | 288.3201 |
| SMILES | CCN(S(C1=CN(CC(O)=O)C(=O)C=C1)(=O)=O)CC |
| Synonyms | 854035-86-2,
2-[5-(diethylsulfamoyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid,
[5-[(diethylamino)sulfonyl]-2-oxopyridin-1(2H)-yl]acetic acid,
AC1MXZXL,
AC1Q2ZK5,
ZINC4200450,
AKOS008045589,
MCULE-8338339719,
NE44596,
EN300-10885,
2-[5-(diethylsulfamoyl)-2-oxopyridin-1-yl]acetic acid,
CID3774070,
2-[5-(diethylsulfamoyl)-2-oxo-pyridin-1-yl]acetic Acid,
1(2H)-Pyridineacetic acid, 5-[(diethylamino)sulfonyl]-2-oxo,
|
| Complexity | 526 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.318g/mol |
| Monoisotopic Mass | 288.078g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number