| CAS Number | 1043023-52-4 |
| Catalog Number | AG008U9T(AGN-PC-0WQUM2) |
| Chemical Name | Dithieno[3,2-c:2',3'-e]oxepin-4,6-dione |
| IUPAC Name | 8-oxa-3,13-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione |
| InChI | InChI=1S/C10H4O3S2/c11-9-5-1-3-14-7(5)8-6(2-4-15-8)10(12)13-9/h1-4H |
| InChI Key | UGFYLGZFYCTMFU-UHFFFAOYSA-N |
| MDL Number | MFCD29472528 |
| Molecular Formula | C10H4O3S2 |
| Molecular Weight | 236.2670 |
| SMILES | O=c1c2c(c3c(c(=O)o1)ccs3)scc2 |
| Synonyms | Dithieno[3,2-c:2',3'-e]oxepine-4,6-dione,
2,2'-bithiophene-3,3'-dicarboxylic anhydride,
SCHEMBL15260259,
UGFYLGZFYCTMFU-UHFFFAOYSA-N,
1043023-52-4,
D4972,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.259g/mol |
| Monoisotopic Mass | 235.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number