| CAS Number | 51762-88-0 |
| Catalog Number | AG01EKL3(AGN-PC-0N72ST) |
| Chemical Name | 9-Oxo-9H-thioxanthene-3-carboxylic acid |
| IUPAC Name | 9-oxothioxanthene-3-carboxylic acid |
| InChI | InChI=1S/C14H8O3S/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13/h1-7H,(H,16,17) |
| InChI Key | KAVCRNNWZSTKGM-UHFFFAOYSA-N |
| MDL Number | MFCD18969869 |
| Molecular Formula | C14H8O3S |
| Molecular Weight | 256.2765 |
| SMILES | O=C1C2=CC=CC=C2SC=2C=C(C=CC12)C(=O)O |
| Synonyms | 9-oxo-9H-thioxanthene-3-carboxylic acid,
51762-88-0,
SCHEMBL490172,
CTK1G4127,
DTXSID70442175,
KAVCRNNWZSTKGM-UHFFFAOYSA-N,
ZINC39043417,
ACM51762528,
9H-Thioxanthene-3-carboxylic acid, 9-oxo-,
9-OXO-9H-THIOXANTHENE-3-CARBOXYLIC ACID&,
9-oxothioxanthene-3-carboxylic Acid,
CID10587165,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.275g/mol |
| Monoisotopic Mass | 256.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number