2,2'-(2-Oxo-3,4-dihydro-2h-1,4-benzothiazine-3,3-diyl)diacetic acid
2-[3-(carboxymethyl)-2-oxo-4H-1,4-benzothiazin-3-yl]acetic acid
Also Known As: NCIStruc1_000074|NCIStruc2_000308|NCI5620|NCGC00013060-02|NCGC00096184-01|NCI60_004370|2,2'-(2-oxo-3,4-dihydro-2h-1,4-benzothiazine-3,3-diyl)diacetic acid|2-[3-(carboxymethyl)-2-oxo-4H-1,4-benzothiazin-3-yl]acetic acid|2-[8-(carboxymethyl)-9-oxo-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-yl]acetic acid
| Molecular Formula | C12H11NO5S |
|---|---|
| Molecular Weight | 281.0358 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0358 |
| Monoisotopic Mass | 281.0358 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 6950-57-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(C(=O)S2)(CC(=O)O)CC(=O)O |
| InChIKey | COFQTUDFOWNJKX-UHFFFAOYSA-N |
Product Overview
2,2'-(2-Oxo-3,4-dihydro-2h-1,4-benzothiazine-3,3-diyl)diacetic acid (CAS 6950-57-8), with molecular formula C12H11NO5S and molecular weight 281.0358 g/mol. IUPAC: 2-[3-(carboxymethyl)-2-oxo-4H-1,4-benzothiazin-3-yl]acetic acid.
2,2'-(2-Oxo-3,4-dihydro-2h-1,4-benzothiazine-3,3-diyl)diacetic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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