3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid
3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid
Also Known As: 3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid|3-(2-Oxo-benzothiazol-3-yl)-propionic acid|3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoic acid|3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid|Oprea1_079890|3(2H)-Benzothiazolepropanoicacid, 2-oxo-|TOS-BB-0936|1598AF|3(2H)-Benzothiazolepropanoic acid, 2-oxo-|3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanoic acid|BAS 10307589|3-(2-Oxobenzothiazol-3-yl)propionic acid|3-(2-Oxo-benzothiazol-3-yl)propionic acid|3-<2-Oxo-benzo
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03032 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 |
| Monoisotopic Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 883-50-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)O |
| InChIKey | MNJIHLQXWFMJRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoic acid (CAS 883-50-1), with molecular formula C10H9NO3S and molecular weight 223.03032 g/mol. IUPAC: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid.