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Chemical structure of 3,4-Methylenedioxycinnamic acid

GC66182

3,4-Methylenedioxycinnamic acid

Also known as 3-(1,3-benzodioxol-5-yl)prop-2-enoic acid

3,4-Methylenedioxycinnamic acid is an inhibitor of the phenylpropanoid enzyme 4-hydroxycinnamoyl-CoA ligase· 3,4-Methylenedioxycinnamic acid increases the formation of soluble phenolics in particular of vanillic acid

ChemicalCAS2373-80-0MW192.17FormulaC10H8O4
CAS number
2373-80-0
Molecular weight
192.17
Formula
C10H8O4
Solubility
DMSO : ≥ 100 mg/mL (520·37 mM)
InChIKey
QFQYZMGOKIROEC-UHFFFAOYSA-N
Catalogue number
GC66182
Brand
GLPBIO
Computed properties PubChem CID 16917 · XLogP 2.1 · TPSA 55.8 Ų · H-bond donors 1
XLogP
2.1
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

SMILES C1OC2=C(O1)C=C(C=C2)C=CC(=O)O

Computed descriptors from PubChem (CID 16917), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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