| CAS Number | 1193387-93-7 |
| Catalog Number | AG019WIG |
| Chemical Name | 2-(1H-Pyrrolo[2,3-b]pyridine-3-sulfonamido)acetic acid |
| IUPAC Name | 2-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)acetic acid |
| InChI | InChI=1S/C9H9N3O4S/c13-8(14)5-12-17(15,16)7-4-11-9-6(7)2-1-3-10-9/h1-4,12H,5H2,(H,10,11)(H,13,14) |
| InChI Key | VSMPKSJYUUOUMX-UHFFFAOYSA-N |
| MDL Number | MFCD12913062 |
| Molecular Formula | C9H9N3O4S |
| Molecular Weight | 255.2505 |
| SMILES | O=C(O)CNS(=O)(C1=CNC2=NC=CC=C21)=O |
| Synonyms | 2-{1H-pyrrolo[2,3-b]pyridine-3-sulfonamido}acetic acid,
1193387-93-7,
AC1Q763Z,
CTK7J5325,
ZINC36379835,
AKOS010211686,
MCULE-1953959178,
NE39073,
EN300-52087,
Z752989072,
2-(1h-pyrrolo[2,3-b]pyridine-3-sulfonamido)acetic acid,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.248g/mol |
| Monoisotopic Mass | 255.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number