AC1MIK0B
4-[[2-(1,3-dioxo-1,3-dipropoxypropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid
Also Known As: Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester|4-[[2-(1,3-dioxo-1,3-dipropoxypropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid|4-{[2-(1,3-Dioxo-1,3-dipropoxypropan-2-ylidene)-1,3-dithiolan-4-yl]oxy}-4-oxobutanoic acid
CAS: 62052-57-7
| Molecular Formula | C16H22O8S2 |
|---|---|
| Molecular Weight | 406.07562 g/mol |
| LogP | 2.3185 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 406.07562 |
| Monoisotopic Mass | 406.07562 |
| Heavy Atoms | 26 |
| Complexity | 550.59705 |
Chemical Identifiers
| CAS Number | 62052-57-7 |
|---|---|
| SMILES | CCCOC(=O)C(=C1SCC(S1)OC(=O)CCC(=O)O)C(=O)OCCC |
Product Overview
AC1MIK0B (CAS 62052-57-7), with molecular formula C16H22O8S2 and molecular weight 406.07562 g/mol. IUPAC: 4-[[2-(1,3-dioxo-1,3-dipropoxypropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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