5502-91-0

Name (10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
CAS 5502-91-0
Molecular Formula C18H32O4
MDL Number MFCD00871128
Molecular Weight 312.44
MOL File 5502-91-0.mol
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Chemical Properties

Boiling point  447.7±38.0 °C(Predicted)
density  1.002±0.06 g/cm3(Predicted)
storage temp.  Store at -80°C
solubility  DMF: >50 mg/ml; DMSO: >50 mg/ml; Ethanol: >50 mg/ml; PBS (pH 7.2): >1 mg/ml
pka 4.78±0.10(Predicted)
InChI InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+
InChIKey JGUNZIWGNMQSBM-ZJHFMPGASA-N
SMILES C(O)(=O)CCCCCCCC(OO)/C=C/C=C\CCCCC

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