| CAS Number | 1017029-42-3 |
| Catalog Number | AG019N1Y(AGN-PC-0WO58Z) |
| Chemical Name | [Methyl(pyridin-3-ylsulfonyl)amino]acetic acid |
| IUPAC Name | 2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid |
| InChI | InChI=1S/C8H10N2O4S/c1-10(6-8(11)12)15(13,14)7-3-2-4-9-5-7/h2-5H,6H2,1H3,(H,11,12) |
| InChI Key | CRGOOXFMADQIBM-UHFFFAOYSA-N |
| MDL Number | MFCD09937432 |
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.2410 |
| SMILES | CN(S(C1=CN=CC=C1)(=O)=O)CC(O)=O |
| Synonyms | 2-(N-methylpyridine-3-sulfonamido)acetic acid,
1017029-42-3,
[methyl(pyridin-3-ylsulfonyl)amino]acetic acid,
AC1Q3XAO,
ZINC19475515,
AKOS000182107,
MCULE-1146460392,
NE38303,
EN300-39181,
Z398513280,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number