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53947-92-5

Name Corylin
CAS 53947-92-5
Molecular Formula C20H16O4
MDL Number MFCD20260784
Molecular Weight 320.34
MOL File 53947-92-5.mol
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Chemical Properties

Melting point  238-239 °C(Solv: acetone (67-64-1); hexane (110-54-3))
Boiling point  527.4±50.0 °C(Predicted)
density  1.295±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO : ≥ 100 mg/mL (312.17 mM);Water : < 0.1 mg/mL (insoluble)
form  powder
pka 6.98±0.20(Predicted)
color  Yellowish
InChI InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
InChIKey PWAACAMQKVIVPZ-UHFFFAOYSA-N
SMILES C1OC2=CC(O)=CC=C2C(=O)C=1C1C=C2C(=CC=1)OC(C)(C)C=C2
CAS DataBase Reference 53947-92-5

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