1364322-41-7

Name Entacapone EP Impurity G
CAS 1364322-41-7
Molecular Formula C11H9N3O5
Molecular Weight 263.21
MOL File 1364322-41-7.mol
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Chemical Properties

Boiling point  544.6±50.0 °C(Predicted)
density  1.537±0.06 g/cm3(Predicted)
pka 4.88±0.50(Predicted)
InChI InChI=1S/C11H9N3O5/c1-13-11(17)7(5-12)2-6-3-8(14(18)19)10(16)9(15)4-6/h2-4,15-16H,1H3,(H,13,17)/b7-2+
InChIKey PJVWDBNDLNEXCN-FARCUNLSSA-N
SMILES C(NC)(=O)/C(/C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1

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