Name: Name:3-hydroxy-4-phenylbutanoic acid
Brand: Angene
SKU: AG01BC6Z
Rating: 90 (10 reviews)

3-hydroxy-4-phenylbutanoic acid

CAS No.:

6828-41-7

Catalog Number:

AG01BC6Z

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

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Product Description

Catalog Number:

AG01BC6Z

Chemical Name:

3-hydroxy-4-phenylbutanoic acid

CAS Number:

6828-41-7

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

MDL Number:

MFCD16302029

IUPAC Name:

3-hydroxy-4-phenylbutanoic acid

InChI:

InChI=1S/C10H12O3/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)

InChI Key:

OLQHWMVTGZBGLG-UHFFFAOYSA-N

SMILES:

OC(Cc1ccccc1)CC(=O)O

Properties

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.203g/mol

Monoisotopic Mass:

180.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Saccharomyces cerevisiae oxidative response evaluation by cyclic voltammetry and gas chromatography-mass spectrometry.	Journal of agricultural and food chemistry 20120725