3-Hydroxymandelic Acid

CAT: 0931-T7634-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T7634-02Size:50 mg

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CAS Number

17119-15-2

Target

Endogenous Metabolite

Related Pathways

Metabolism

Purity

0.9895

Bioactivity

3-Hydroxymandelic Acid is a metabolite of Phenylephrine. 3-Hydroxymandelic Acid is a metabolite of Phenylephrine, which is an α-receptor agonist.

Smiles

OC(C(O)=O)c1cccc(O)c1

Molecular Formula

C8H8O4

Molecular Weight

168.15

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-Hydroxymandelic acid

3-hydroxymandelic acid is a 2-hydroxy monocarboxylic acid that is mandelic acid substituted by a hydroxy group at position 3'. It has a role as a human metabolite. It is a member of phenols and a 2-hydroxy monocarboxylic acid. It is functionally related to a mandelic acid.

CAS Number	17119-15-2
PubChem CID	86957
IUPAC Name	2-hydroxy-2-(3-hydroxyphenyl)acetic acid
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	-0.1
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	168

SMILES

C1=CC(=CC(=C1)O)C(C(=O)O)O

InChI

InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)

InChIKey

OLSDAJRAVOVKLG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17119-15-2

CID: 86957

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	168.04225873
Monoisotopic Mass	168.04225873
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	168
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
H9110-08	3-Hydroxymandelic Acid
HY-W015326R	3-Hydroxymandelic Acid (Standard)
M20044-01	4-Hydroxymandelic acid
HY-113027-01	P-Hydroxymandelic acid
H13410-01	M-Hydroxymandelic acid
A18950-100	P-Hydroxymandelic acid 100mg
TRC-H944355-25G	4-Hydroxymandelic Acid Monohydrate
CAA93276-01	3,5-Diiodo-4-hydroxymandelic acid

3-Hydroxymandelic Acid

Chemical Information

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