Benzenepropanoic acid,4-cyano-b-oxo-,ethyl ester

CAS

49744-93-6

Catalog Number

ACM49744936

Category

Other Products

Molecular Weight

217.22

Molecular Formula

C₁₂H₁₁NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

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

IUPAC Name

ethyl 3-(4-cyanophenyl)-3-oxopropanoate

Canonical SMILES

CCOC(=O)CC(=O)C1=CC=C(C=C1)C#N

InChI Key

ITKQVWKZLCNILF-UHFFFAOYSA-N

Boiling Point

358.1ºC at 760 mmHg

Flash Point

156.5ºC

Density

1.19g/cm³

Exact Mass

217.07400

H-Bond Acceptor

H-Bond Donor

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