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2,3,6,7-Tetramethoxyanthraquinone

CAT: 1266-JH344664Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
5629-55-0
HS Code
2914690090
Stability
Stable, but may be light and moisture sensitive. Incompatible with oxidizing agents.
Molecular Formula
C18H16O6
Molecular Weight
328.32
Product Name Synonym
2,3,6,7-tetramethoxyanthracene-9,10-dione

Chemical Information

2,3,6,7-Tetramethoxyanthracene-9,10-dione
CAS Number5629-55-0
PubChem CID15557501
IUPAC Name2,3,6,7-tetramethoxyanthracene-9,10-dione
Molecular FormulaC18H16O6
Molecular Weight328.3
XLogP2.8
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity408
SMILES
COC1=C(C=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)OC)OC)OC
InChI
InChI=1S/C18H16O6/c1-21-13-5-9-10(6-14(13)22-2)18(20)12-8-16(24-4)15(23-3)7-11(12)17(9)19/h5-8H,1-4H3
InChIKey
WAKICGWWAOUTLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,6,7-Tetramethoxyanthracene-9,10-dione
CAS: 5629-55-0
CID: 15557501
Formula: C18H16O6
MW: 328.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight328.3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass328.09468823
Monoisotopic Mass328.09468823
Topological Polar Surface Area71.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity408
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