3-(4-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

Chemical Properties

Melting point	65.0 to 69.0 °C
Boiling point	140°C/0.1mmHg(lit.)
Density	1.19±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
form	powder to crystal
pka	8.88±0.25(Predicted)
color	Light yellow to Yellow to Orange
InChI	InChI=1S/C12H11NO3/c1-2-16-12(15)7-11(14)10-5-3-9(8-13)4-6-10/h3-6H,2,7H2,1H3
InChIKey	ITKQVWKZLCNILF-UHFFFAOYSA-N
SMILES	C1(C=CC(C#N)=CC=1)C(=O)CC(=O)OCC
CAS DataBase Reference	49744-93-6

HS Code

2926.90.4801

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