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P-Hydroxymandelic acid 500mg

CAT: 0628-A18950-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A18950-500Size:500 mg
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CAS Number
1198-84-1

Chemical Information

(+-)-4-Hydroxymandelic acid

4-hydroxymandelic acid is a 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. It has a role as a metabolite. It is a member of phenols and a 2-hydroxy carboxylic acid. It is functionally related to a mandelic acid. It is a conjugate acid of a 4-hydroxymandelate.

CAS Number1198-84-1
PubChem CID328
IUPAC Name2-hydroxy-2-(4-hydroxyphenyl)acetic acid
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP0.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
C1=CC(=CC=C1C(C(=O)O)O)O
InChI
InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChIKey
YHXHKYRQLYQUIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-4-Hydroxymandelic acid
CAS: 1198-84-1
CID: 328
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area77.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
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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