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2,3,4-Trihydroxybenzoic acid (Standard)

CAT: 0804-HY-W016993R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W016993R-01Size:10 mg
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Description
2,3,4-Trihydroxybenzoic acid is an internal standard in separation of phenolic acids by HPLC.
CAS Number
610-02-6
UNSPSC
12352005
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(O)C1=CC=C(O)C(O)=C1O
Molecular Formula
C7H6O5
Molecular Weight
170.12
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

2,3,4-Trihydroxybenzoic Acid

2,3,4-trihydroxybenzoic acid is a trihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2, 3, and 4. It has a role as a radical scavenger and a plant metabolite. It is a monocarboxylic acid and a trihydroxybenzoic acid.

CAS Number610-02-6
PubChem CID11874
IUPAC Name2,3,4-trihydroxybenzoic acid
Molecular FormulaC7H6O5
Molecular Weight170.12
XLogP1.1
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity181
SMILES
C1=CC(=C(C(=C1C(=O)O)O)O)O
InChI
InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKey
BRRSNXCXLSVPFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4-Trihydroxybenzoic Acid
CAS: 610-02-6
CID: 11874
Formula: C7H6O5
MW: 170.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.12
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass170.02152329
Monoisotopic Mass170.02152329
Topological Polar Surface Area98 Ų
Heavy Atom Count12
Formal Charge0
Complexity181
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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