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Chemical structure of Ethyl Caffeate

GC38678

Ethyl Caffeate

Also known as ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa

ChemicalCAS102-37-4MW208.21FormulaC11H12O4
CAS number
102-37-4
Molecular weight
208.21
Formula
C11H12O4
Solubility
DMSO： 250 mg/mL (1200·71 mM)
InChIKey
WDKYDMULARNCIS-UHFFFAOYSA-N
Catalogue number
GC38678
Brand
GLPBIO
Computed properties PubChem CID 66883 · XLogP 2.6 · TPSA 66.8 Ų · H-bond donors 2
XLogP
2.6
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

SMILES CCOC(=O)C=CC1=CC(=C(C=C1)O)O

Computed descriptors from PubChem (CID 66883), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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