| CAS Number | 250726-91-1 |
| Catalog Number | AG01ABOL(AGN-PC-0O88VH) |
| Chemical Name | 1-(2,3-Dihydrothieno[3,4-b]-1,4-dioxin-5-yl)ethanone
|
| IUPAC Name | 1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethanone |
| InChI | InChI=1S/C8H8O3S/c1-5(9)8-7-6(4-12-8)10-2-3-11-7/h4H,2-3H2,1H3 |
| InChI Key | DPBYMEYRTBZPDY-UHFFFAOYSA-N |
| MDL Number | MFCD22063859 |
| Molecular Formula | C8H8O3S |
| Molecular Weight | 184.2123 |
| SMILES | C(=O)(C)c1c2c(cs1)OCCO2 |
| Synonyms | 1-{2H,3H-thieno[3,4-b][1,4]dioxin-5-yl}ethan-1-one,
250726-91-1,
2-acetyl-3,4-ethylenedioxythiophene,
ZINC82393365,
AKOS026699850,
NE53054,
5-Acetyl-2,3-dihydro-thieno[3,4-b]-1,4-dioxin,
F8881-6557,
N/A,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.209g/mol |
| Monoisotopic Mass | 184.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number