CAS 14897-78-0 | Benzenepropanoic acid, 4-hydroxy-3,5-dimethoxy- | CAS Number 14897-78-0

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14897-78-0 | Benzenepropanoic acid, 4-hydroxy-3,5-dimethoxy-

CAS No: 14897-78-0 Catalog No: AG001LAR MDL No:MFCD00016559

Product Description

Catalog Number:

AG001LAR

Chemical Name:

Benzenepropanoic acid, 4-hydroxy-3,5-dimethoxy-

CAS Number:

14897-78-0

Molecular Formula:

C11H14O5

Molecular Weight:

226.2259

MDL Number:

MFCD00016559

IUPAC Name:

3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid

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

SMILES:

COc1cc(CCC(=O)O)cc(c1O)OC

EC Number:

238-966-2

UNII:

ZZ1SHO4617

Properties

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.228g/mol

Monoisotopic Mass:

226.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
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 20091201
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 20071212