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210826-40-7

Name MCC950
CAS 210826-40-7
EINECS(EC#) 604-604-1
Molecular Formula C20H24N2O5S
MDL Number MFCD28900720
Molecular Weight 404.48
MOL File 210826-40-7.mol

Chemical Properties

Melting point  239 °C
density  1.396±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  Soluble in DMSO (up to 40 mg/ml) or in Water (up to 30 mg/ml)
form  solid
pka 4.74±0.10(Predicted)
color  White
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20°C for up to 1 month.
InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
InChIKey HUUSXLKCTQDPGL-UHFFFAOYSA-N
SMILES O1C=C(C(O)(C)C)C=C1S(NC(NC1=C2C(=CC3CCCC1=3)CCC2)=O)(=O)=O

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