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Phloroglucinol

CAT: 0024-sc-215709ASize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-215709ASize:100 g
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CAS Number
108-73-6

Chemical Information

Phloroglucinol

Phloroglucinol is a benzenetriol with hydroxy groups at position 1, 3 and 5. It has a role as an algal metabolite. It is a phenolic donor and a benzenetriol.

CAS Number108-73-6
PubChem CID359
IUPAC Namebenzene-1,3,5-triol
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP0.2
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity63
SMILES
C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKey
QCDYQQDYXPDABM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phloroglucinol
CAS: 108-73-6
CID: 359
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP30.2
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
Complexity63.3
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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