505-55-5

Name henicosanedioic acid
CAS 505-55-5
Molecular Formula C21H40O4
MDL Number MFCD00045934
Molecular Weight 356.54
MOL File 505-55-5.mol
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Chemical Properties

Melting point  112-113 °C
Boiling point  118-120 °C
density  0.978±0.06 g/cm3(Predicted)
pka 4.48±0.10(Predicted)
InChI InChI=1S/C21H40O4/c22-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(24)25/h1-19H2,(H,22,23)(H,24,25)
InChIKey PWLXTFFHCFWCGG-UHFFFAOYSA-N
SMILES C(O)(=O)CCCCCCCCCCCCCCCCCCCC(O)=O

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