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Chemical structure of Methyl p-coumarate

GC61670

Methyl p-coumarate

Also known as methyl 3-(4-hydroxyphenyl)prop-2-enoate

Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia

ChemicalCAS3943-97-3MW178.18FormulaC10H10O3
CAS number
3943-97-3
Molecular weight
178.18
Formula
C10H10O3
Solubility
DMSO ： 100 mg/mL (561·23 mM; ultrasonic and warming and heat to 60°C)
InChIKey
NITWSHWHQAQBAW-UHFFFAOYSA-N
Catalogue number
GC61670
Brand
GLPBIO
Computed properties PubChem CID 92203 · XLogP 2.3 · TPSA 46.5 Ų · H-bond donors 1
XLogP
2.3
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

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

Computed descriptors from PubChem (CID 92203), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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