Rufigallol

CAT: 0127-BUP12309-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12309-06Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

82-12-2

Synonyms

AI3 00865, AI3-00865, AI300865

Purity

=98%

Smiles

O=C1C=2C(C(=O)C=3C1=CC(O)=C(O)C3O)=CC(O)=C(O)C2O

Chemical Information

Rufigallol

Rufigallol is a hexahydroxyanthraquinone.

CAS Number	82-12-2
PubChem CID	65737
IUPAC Name	1,2,3,5,6,7-hexahydroxyanthracene-9,10-dione
Molecular Formula	C14H8O8
Molecular Weight	304.21
XLogP	1.8
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	449

SMILES

C1=C2C(=C(C(=C1O)O)O)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O

InChI

InChI=1S/C14H8O8/c15-5-1-3-7(13(21)11(5)19)10(18)4-2-6(16)12(20)14(22)8(4)9(3)17/h1-2,15-16,19-22H

InChIKey

NEIMTOOWBACOHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82-12-2

CID: 65737

Formula: C14H8O8

MW: 304.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.21
XLogP3	1.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	304.02191721
Monoisotopic Mass	304.02191721
Topological Polar Surface Area	156 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	449
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19211941-01	Rufigallol