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3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoic Acid

3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoic Acid - CAS 14897-78-0

Catalog:	BB010358
Product Name:	3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoic Acid
CAS:	14897-78-0
Synonyms:	3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid; 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid

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Computed Properties

IUPAC Name:	3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid
Description:	3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoic Acid (CAS# 14897-78-0) is a useful research chemical.
Molecular Weight:	226.23
Molecular Formula:	C11H14O5
Canonical SMILES:	COC1=CC(=CC(=C1O)OC)CCC(=O)O
InChI:	InChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
InChI Key:	BPPVOXVSMSXBEI-UHFFFAOYSA-N
Boiling Point:	405.6 °C at 760 mmHg
Density:	1.258 g/cm³
LogP:	1.42660

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PMID	Publication Date	Title	Journal
20041773	20091201	Active principle of kimchi, 3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid, retards fatty streak formation at aortic sinus of apolipoprotein E knockout mice	Journal of medicinal food
18004805	20071212	3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid, an active principle of kimchi, inhibits development of atherosclerosis in rabbits	Journal of agricultural and food chemistry
12381140	20021023	Isolation and identification of DPPH radical scavenging compounds in Kurosu (Japanese unpolished rice vinegar)	Journal of agricultural and food chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.08412354
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	226.08412354
Rotatable Bond Count:	5
Topological Polar Surface Area:	76 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3