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Pyrogallol 98% For Synthesis

CAT: 1278-02231 00100Size: 100 gDry Ice: NoHazardous: No
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CAT#:1278-02231 00100Size:100 g
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CAS Number
87-66-1
HS Code
29072990
Packaging Group
PB

Chemical Information

Pyrogallol

Pyrogallol is a benzenetriol carrying hydroxy groups at positions 1, 2 and 3. It has a role as a plant metabolite. It is a phenolic donor and a benzenetriol.

CAS Number87-66-1
PubChem CID1057
IUPAC Namebenzene-1,2,3-triol
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP0.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChIKey
WQGWDDDVZFFDIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrogallol
CAS: 87-66-1
CID: 1057
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass126.031694049
Monoisotopic Mass126.031694049
Topological Polar Surface Area60.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.3
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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Alternative Products

CatalogName
223100100Pyrogallol 98% For Synthesis
029716-01Pyrogallol for Synthesis 1, 2, 3-Trihydroxy benzene (Pyrogallic acid) 98.0%
T3749-01Pyrogallol

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