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1,2,5-Trihydroxyxanthone

CAT: 0926-GGA64023-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-GGA64023-02Size:10 mg
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CAS Number
156640-23-2
Smiles
C1=CC2=C (C (=C1) O) OC3=C (C2=O) C (=C (C=C3) O) O
Molecular Formula
C13H8O5
Molecular Weight
244.2 g/mol
Controlled
No

Chemical Information

1,2,5-Trihydroxyxanthone

1,2,5-trihydroxyxanthone is a member of the class of xanthones that is 9H-xanthen-9-one substituted bybhydroxy groups at positions 1, 2 and 5. It is isolated from Garcinia subelliptica. It has a role as a metabolite. It is a polyphenol and a member of xanthones.

CAS Number156640-23-2
PubChem CID10060362
IUPAC Name1,2,5-trihydroxyxanthen-9-one
Molecular FormulaC13H8O5
Molecular Weight244.20
XLogP2.4
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity344
SMILES
C1=CC2=C(C(=C1)O)OC3=C(C2=O)C(=C(C=C3)O)O
InChI
InChI=1S/C13H8O5/c14-7-4-5-9-10(12(7)17)11(16)6-2-1-3-8(15)13(6)18-9/h1-5,14-15,17H
InChIKey
WRYMABXVDKBFIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,5-Trihydroxyxanthone
CAS: 156640-23-2
CID: 10060362
Formula: C13H8O5
MW: 244.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.20
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass244.03717335
Monoisotopic Mass244.03717335
Topological Polar Surface Area87 Ų
Heavy Atom Count18
Formal Charge0
Complexity344
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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