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2- (2'-Hydroxy-4'-methylphenyl) propionic acid

CAT: 0804-HY-N10914Size: 1 EachDry Ice: NoHazardous: No
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Description
2- (2'-Hydroxy-4'-methylphenyl) propionic acid is an active compound[1].
CAS Number
111044-84-9
UNSPSC
12352005
Hazard Statement
H302-H312-H332
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-2-hydroxy-4-methylphenyl-propionic-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(C(C)C1=CC=C(C)C=C1O)O
Molecular Formula
C10H12O3
Molecular Weight
180.20
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
References & Citations
[1] L-J Chen, et al. Metabolism of (R) - (+) -menthofuran in Fischer-344 rats: identification of sulfonic acid metabolites. Drug Metab Dispos. 2003 Oct;31 (10) :1208-13.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-(2'-Hydroxy-4'-methylphenyl)propionic acid
CAS Number111044-84-9
PubChem CID20449857
IUPAC Name2-(2-hydroxy-4-methylphenyl)propanoic acid
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity191
SMILES
CC1=CC(=C(C=C1)C(C)C(=O)O)O
InChI
InChI=1S/C10H12O3/c1-6-3-4-8(9(11)5-6)7(2)10(12)13/h3-5,7,11H,1-2H3,(H,12,13)
InChIKey
OFFRVASYEAWIFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2'-Hydroxy-4'-methylphenyl)propionic acid
CAS: 111044-84-9
CID: 20449857
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area57.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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