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Tlatlancuayin

CAT: 0931-TN7438-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7438-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3743-44-0
Target
Others
Related Pathways
Others
Bioactivity
Tlatlancuayin is a natural product that can be used as a reference standard. The CAS number of Tlatlancuayin is 3743-44-0.
Smiles
O(C)C=1C2=C(C=C3C1OCO3)OC=C(C2=O)C4=C(OC)C=CC=C4
Molecular Formula
C18H14O6
Molecular Weight
326.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tlatlancuayin

Tlatlancuayin is a member of isoflavones.

CAS Number3743-44-0
PubChem CID12444409
IUPAC Name9-methoxy-7-(2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Molecular FormulaC18H14O6
Molecular Weight326.3
XLogP2.9
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity518
SMILES
COC1=CC=CC=C1C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4
InChI
InChI=1S/C18H14O6/c1-20-12-6-4-3-5-10(12)11-8-22-13-7-14-17(24-9-23-14)18(21-2)15(13)16(11)19/h3-8H,9H2,1-2H3
InChIKey
WJYNIPMSQPXGGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tlatlancuayin
CAS: 3743-44-0
CID: 12444409
Formula: C18H14O6
MW: 326.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.3
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass326.07903816
Monoisotopic Mass326.07903816
Topological Polar Surface Area63.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity518
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

Alternative Products

CatalogName
GTR19269445Tlatlancuayin

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