CAS 938-96-5 | 2-(4-Hydroxyphenyl)propanoic acid | CAS Number 938-96-5

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938-96-5 | 2-(4-Hydroxyphenyl)propanoic acid

CAS No: 938-96-5 Catalog No: AG003EWK MDL No:MFCD00128847

Product Description

Catalog Number:

AG003EWK

Chemical Name:

2-(4-Hydroxyphenyl)propanoic acid

CAS Number:

938-96-5

Molecular Formula:

C9H10O3

Molecular Weight:

166.1739

MDL Number:

MFCD00128847

IUPAC Name:

2-(4-hydroxyphenyl)propanoic acid

InChI:

InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)

InChI Key:

ZHMMPVANGNPCBW-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1ccc(cc1)O)C

EC Number:

213-352-7

Properties

Complexity:

159

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.176g/mol

Monoisotopic Mass:

166.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Profiling of alkaloids and eremophilanes in miracle tea (Packera candidissima and P. bellidifolia) products.	Journal of natural products 20120525
[Study on chemical constituents of the Ixeris chinensis].	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20111101
Metabolic changes reveal the development of schistosomiasis in mice.	PLoS neglected tropical diseases 20100801
The red clover isoflavone irilone is largely resistant to degradation by the human gut microbiota.	Molecular nutrition & food research 20100701
2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.	Journal of medicinal chemistry 20050630
Transformation of flavonoids by intestinal microorganisms.	International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition 20030301
Anaerobic C-ring cleavage of genistein and daidzein by Eubacterium ramulus.	FEMS microbiology letters 20020305