Caffeic Acid Phenethyl Ester

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Catalog Number ACM104594709
CAS 104594-70-9
Structure {[CurrentData.Name]}
IUPAC Name 2-Phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms 3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester
Molecular Weight 284.31
Molecular Formula C17H16O4
Canonical SMILES C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O
Inchi InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
InChIKey SWUARLUWKZWEBQ-VQHVLOKHSA-N
Boiling Point 498.6±45.0 °C
Melting Point 127-129 °C
Purity 95%+
Density 1.266±0.06 g/cm³
Appearance Crystalline powder
Physical State Solid
Refractive Index 1.65

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