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2,3,4,7-Tetramethoxyxanthon

CAT: 0931-TN11090-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11090-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129168-56-5
Target
Others
Related Pathways
Others
Purity
0.9912
Bioactivity
2,3,4,7-Tetramethoxyxanthon is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
Smiles
O=C1C2=CC(OC)=CC=C2OC3=C(OC)C(OC)=C(OC)C=C13
Molecular Formula
C17H16O6
Molecular Weight
316.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-
CAS Number129168-56-5
PubChem CID370636
IUPAC Name2,3,4,7-tetramethoxyxanthen-9-one
Molecular FormulaC17H16O6
Molecular Weight316.30
XLogP2.8
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity427
SMILES
COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC
InChI
InChI=1S/C17H16O6/c1-19-9-5-6-12-10(7-9)14(18)11-8-13(20-2)16(21-3)17(22-4)15(11)23-12/h5-8H,1-4H3
InChIKey
QPTYQJBRCIANSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-
CAS: 129168-56-5
CID: 370636
Formula: C17H16O6
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass316.09468823
Monoisotopic Mass316.09468823
Topological Polar Surface Area63.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity427
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