| CAS Number | 938363-46-3 |
| Catalog Number | AG01AGY5 |
| Chemical Name | 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C12H9NO4S/c14-12(15)8-6-18-11(13-8)7-1-2-9-10(5-7)17-4-3-16-9/h1-2,5-6H,3-4H2,(H,14,15) |
| InChI Key | CDLVCRVTSGOFKM-UHFFFAOYSA-N |
| MDL Number | MFCD07376245 |
| Molecular Formula | C12H9NO4S |
| Molecular Weight | 263.2692 |
| SMILES | OC(C1N=C(C2=CC3=C(OCCO3)C=C2)SC=1)=O |
| Synonyms | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxylic acid,
938363-46-3,
AC1Q742I,
ZINC11894858,
AKOS008122499,
MCULE-1234577683,
NE27809,
EN300-73151,
Z1259273259,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.267g/mol |
| Monoisotopic Mass | 263.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number