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Home Other Building Blocks Benzeneacetic acid, 3-hydroxy-a-methyl-

Benzeneacetic acid, 3-hydroxy-a-methyl-

CAS No.:
56911-50-3
Catalog Number:
AG01BFUL
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BFUL
Chemical Name:
Benzeneacetic acid, 3-hydroxy-a-methyl-
CAS Number:
56911-50-3
MDL Number:
MFCD20639575
IUPAC Name:
2-(3-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H10O3/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6,10H,1H3,(H,11,12)
InChI Key:
BYRVXROVZBYNOZ-UHFFFAOYSA-N
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Impact of short-term intake of red wine and grape polyphenol extract on the human metabolome. Journal of agricultural and food chemistry 20120328
In vitro bioaccessibility and gut biotransformation of polyphenols present in the water-insoluble cocoa fraction. Molecular nutrition & food research 20110501
Proanthocyanidin metabolites associated with dietary fibre from in vitro colonic fermentation and proanthocyanidin metabolites in human plasma. Molecular nutrition & food research 20100701
Dihydroxylated phenolic acids derived from microbial metabolism reduce lipopolysaccharide-stimulated cytokine secretion by human peripheral blood mononuclear cells. The British journal of nutrition 20090701
Characterization of the maduropeptin biosynthetic gene cluster from Actinomadura madurae ATCC 39144 supporting a unifying paradigm for enediyne biosynthesis. Journal of the American Chemical Society 20071031
Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets. Analytical chemistry 20050301
Supplementation with grape seed polyphenols results in increased urinary excretion of 3-hydroxyphenylpropionic Acid, an important metabolite of proanthocyanidins in humans. Journal of agricultural and food chemistry 20040825
Properties