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Chemical structure of 3-(3,4-Dimethoxyphenyl)propanoic acid

GC39472

3-(3,4-Dimethoxyphenyl)propanoic acid

Also known as 3-(3,4-dimethoxyphenyl)propanoic acid

3-(3,4-Dimethoxyphenyl)propanoic acid is an orally active short-chain fatty acids (SCFAs)

ChemicalCAS2107-70-2MW210.23FormulaC11H14O4
CAS number
2107-70-2
Molecular weight
210.23
Formula
C11H14O4
Solubility
DMSO ： 100 mg/mL (475·67 mM; Need ultrasonic)
InChIKey
LHHKQWQTBCTDQM-UHFFFAOYSA-N
Catalogue number
GC39472
Brand
GLPBIO
Computed properties PubChem CID 75019 · XLogP 1.2 · TPSA 55.8 Ų · H-bond donors 1
XLogP
1.2
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
15

SMILES COC1=C(C=C(C=C1)CCC(=O)O)OC

Computed descriptors from PubChem (CID 75019), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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