36622-23-8

Name Benzenebutanoic acid, γ-cyano-3,4-dimethoxy-γ-(1-methylethyl)-
CAS 36622-23-8
Molecular Formula C16H21NO4
Molecular Weight 291.35
MOL File 36622-23-8.mol
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Chemical Properties

Boiling point  448.8±45.0 °C(Predicted)
density  1.126±0.06 g/cm3(Predicted)
pka 4.29±0.10(Predicted)
InChI InChI=1S/C16H21NO4/c1-11(2)16(10-17,8-7-15(18)19)12-5-6-13(20-3)14(9-12)21-4/h5-6,9,11H,7-8H2,1-4H3,(H,18,19)
InChIKey BSHCLIANLKRGLY-UHFFFAOYSA-N
SMILES C(C1C=CC(OC)=C(OC)C=1)(C#N)(C(C)C)CCC(=O)O

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