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Chemical structure of m-Coumaric acid

GC30758

m-Coumaric acid

Also known as 3-(3-hydroxyphenyl)prop-2-enoic acid

m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant

ChemicalCAS588-30-7MW164.16FormulaC9H8O3
CAS number
588-30-7
Molecular weight
164.16
Formula
C9H8O3
Solubility
DMSO : 250 mg/mL (1522·90 mM; Need ultrasonic)
InChIKey
KKSDGJDHHZEWEP-UHFFFAOYSA-N
Catalogue number
GC30758
Brand
GLPBIO
Computed properties PubChem CID 11496 · XLogP 1.8 · TPSA 57.5 Ų · H-bond donors 2
XLogP
1.8
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

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

Computed descriptors from PubChem (CID 11496), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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