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4-hydroxyphenylacetic acid

CAT: 1410-M18084-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M18084-01Size:1 g
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Description
4-Hydroxybenzeneacetate acid is considered to be slightly soluble (in water) and acidic. 4-Hydroxybenzeneacetate acid can be synthesized from acetic acid.
CAS Number
156-38-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
152.15
Molecular Formula
C8H8O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Hydroxyphenylacetic acid

4-hydroxyphenylacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a mouse metabolite, a plant metabolite, a fungal metabolite and a human metabolite. It is a monocarboxylic acid and a member of phenols. It is functionally related to an acetic acid. It is a conjugate acid of a 4-hydroxyphenylacetate.

CAS Number156-38-7
PubChem CID127
IUPAC Name2-(4-hydroxyphenyl)acetic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP0.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
C1=CC(=CC=C1CC(=O)O)O
InChI
InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey
XQXPVVBIMDBYFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyphenylacetic acid
CAS: 156-38-7
CID: 127
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes