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2,7-Dihydroxyxanthone

CAT: 0926-PCA63272-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-PCA63272-02Size:25 mg
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CAS Number
64632-72-0
Smiles
C1=CC2=C (C=C1O) C (=O) C3=C (O2) C=CC (=C3) O
Molecular Formula
C13H8O4
Molecular Weight
228.2 g/mol
Controlled
No

Chemical Information

2,7-Dihydroxyxanthen-9-one

2,7-dihydroxyxanthen-9-one has been reported in Polygala tenuifolia, Hypericum japonicum, and other organisms with data available.

CAS Number64632-72-0
PubChem CID2836049
IUPAC Name2,7-dihydroxyxanthen-9-one
Molecular FormulaC13H8O4
Molecular Weight228.20
XLogP2.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity289
SMILES
C1=CC2=C(C=C1O)C(=O)C3=C(O2)C=CC(=C3)O
InChI
InChI=1S/C13H8O4/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6,14-15H
InChIKey
JXMFQSCZNDSWSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7-Dihydroxyxanthen-9-one
CAS: 64632-72-0
CID: 2836049
Formula: C13H8O4
MW: 228.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.20
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass228.04225873
Monoisotopic Mass228.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity289
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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