Chemical Properties
Melting point | 169-170 °C (decomp) |
Boiling point | 479.5±45.0 °C(Predicted) |
Density | 1.292±0.06 g/cm3(Predicted) |
pka | 1.96±0.40(Predicted) |
form | Solid |
color | White to off-white |
InChI | InChI=1S/C14H17NO4S/c1-2-19-14(18)11(9-6-4-3-5-7-9)12-15-10(8-20-12)13(16)17/h3-7,10-12,15H,2,8H2,1H3,(H,16,17) |
InChIKey | XDBMTQVSHNQIFU-UHFFFAOYSA-N |
SMILES | C1(SCC(C(=O)O)N1)C(C(=O)OCC)C1C=CC=CC=1 |