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1,8,9-Trihydroxyanthracene

CAT: 0024-sc-334250Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-334250Size:5 g
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CAS Number
480-22-8

Chemical Information

1,8,9-Anthracenetriol

Anthracene-1,8,9-triol is an anthracenetriol that is anthracene substituted by hydroxy groups at positions 1, 8 and 9. It is a tautomer of an anthralin.

CAS Number480-22-8
PubChem CID10187
IUPAC Nameanthracene-1,8,9-triol
Molecular FormulaC14H10O3
Molecular Weight226.23
XLogP3.9
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity255
SMILES
C1=CC2=CC3=C(C(=CC=C3)O)C(=C2C(=C1)O)O
InChI
InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H
InChIKey
YUTJCNNFTOIOGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,8,9-Anthracenetriol
CAS: 480-22-8
CID: 10187
Formula: C14H10O3
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass226.062994177
Monoisotopic Mass226.062994177
Topological Polar Surface Area60.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity255
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
GTR19280498-011,8,9-Trihydroxyanthracene
10673396-1gDithranol (1,8,9-trihydroxyanthracene)
AP KR 0360-011-ethoxy-4,5,8-trihydroxyanthracene-9,10-dione
RG-T182501-011,4,5-Trihydroxyanthracene-9,10-Dione
AP KC 0059-012-[ (1-acetylcyclopropyl) methyl]-1,4,8-trihydroxyanthracene-9,10-dione
AP KR 0243-011,2,4-trihydroxyanthracene-9,10-dione
AP KC 0062-012-[3- (dichloromethyl) -3-hydroxypentyl]-1,4,8-trihydroxyanthracene-9,10-dione
AP KR 0327-012- (chloromethyl) -1,4,5-trihydroxyanthracene-9,10-dione
AP KR 0323-012- (4-chloro-3-hydroxy-3-methylbutyl) -1,4,8-trihydroxyanthracene-9,10-dione
AP KC 0054-012-[ (3-acetyl-2-oxooxolan-3-yl) methyl]-1,4,8-trihydroxyanthracene-9,10-dione

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