| CAS Number | 1152914-93-6 |
| Catalog Number | AG019MU3(AGN-PC-0WODB8) |
| Chemical Name | ([(1-Methyl-1h-pyrazol-4-yl)sulfonyl]amino)acetic acid |
| IUPAC Name | 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C6H9N3O4S/c1-9-4-5(2-7-9)14(12,13)8-3-6(10)11/h2,4,8H,3H2,1H3,(H,10,11) |
| InChI Key | BZNSBMMNELCTGC-UHFFFAOYSA-N |
| MDL Number | MFCD11099526 |
| Molecular Formula | C6H9N3O4S |
| Molecular Weight | 219.2184 |
| SMILES | CN1N=CC(S(NCC(O)=O)(=O)=O)=C1 |
| Synonyms | 2-(1-methyl-1H-pyrazole-4-sulfonamido)acetic acid,
1152914-93-6,
{[(1-methyl-1H-pyrazol-4-yl)sulfonyl]amino}acetic acid,
AC1Q3YSX,
CTK7J5370,
ZINC32627252,
AKOS009292245,
MCULE-9194985100,
NE36778,
EN300-37292,
AB00995170-01,
Z381785642,
([(1-methyl-1h-pyrazol-4-yl)sulfonyl]amino)acetic acid,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.215g/mol |
| Monoisotopic Mass | 219.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number