| CAS Number | 1094107-96-6 |
| Catalog Number | AG01BC1U |
| Chemical Name | 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid |
| IUPAC Name | 3-oxo-4H-1,4-benzothiazine-7-carboxylic acid |
| InChI | InChI=1S/C9H7NO3S/c11-8-4-14-7-3-5(9(12)13)1-2-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13) |
| InChI Key | PMIQHWMFUZMWOX-UHFFFAOYSA-N |
| MDL Number | MFCD24484189 |
| Molecular Formula | C9H7NO3S |
| Molecular Weight | 209.2218 |
| SMILES | O=C1NC2=C(SC1)C=C(C=C2)C(=O)O |
| Synonyms | 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid,
1094107-96-6,
SCHEMBL3006703,
ZINC98208711,
AKOS023563048,
Q27458570,
Z2130641660,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.014664g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.22g/mol |
| Monoisotopic Mass | 209.014664g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number