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4-Hydroxyisophthalic acid

CAT: 0013-GTR19176947-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176947-01Size:50 mg
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Description
4-Hydroxyisophthalic acid is a chemical building block employed as a pharmaceutical intermediate in research. It serves as a precursor in the synthesis of various bioactive compounds for in vitro biochemical studies and pharmacological research.
CAS Number
636-46-4
Product Name Alternative
4 Hydroxyisophthalic acid, 4Hydroxyisophthalic acid, 4-Hydroxyisophthalic acid
Field of Research
Neuroscience
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:2.5 mg/mL (13.73 mM) ; DMSO:60 mg/mL (329.44 mM)
Smiles
OC (=O) c1ccc (O) c (c1) C (O) =O
Molecular Formula
C8H6O5
Molecular Weight
182.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Hydroxyisophthalic acid

4-Hydroxyisophthalic acid is a 2-hydroxyisophthalic acid.

CAS Number636-46-4
PubChem CID12490
IUPAC Name4-hydroxybenzene-1,3-dicarboxylic acid
Molecular FormulaC8H6O5
Molecular Weight182.13
XLogP1.5
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity225
SMILES
C1=CC(=C(C=C1C(=O)O)C(=O)O)O
InChI
InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey
BCEQKAQCUWUNML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyisophthalic acid
CAS: 636-46-4
CID: 12490
Formula: C8H6O5
MW: 182.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.13
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass182.02152329
Monoisotopic Mass182.02152329
Topological Polar Surface Area94.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity225
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

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