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3-Hydroxy-4-methoxyxanthone

CAT: 0013-GTR19229062-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229062-05Size:5 mg
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Description
3-Hydroxy-4-methoxyxanthone
CAS Number
58315-65-4
Smiles
COc1c (O) ccc2c1oc1ccccc1c2=O
Molecular Formula
C14H10O4
Molecular Weight
242.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxy-4-methoxyxanthone

3-hydroxy-4-methoxy-9H-xanthen-9-one is a member of xanthones.

CAS Number58315-65-4
PubChem CID5464639
IUPAC Name3-hydroxy-4-methoxyxanthen-9-one
Molecular FormulaC14H10O4
Molecular Weight242.23
XLogP2.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity330
SMILES
COC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)O
InChI
InChI=1S/C14H10O4/c1-17-14-10(15)7-6-9-12(16)8-4-2-3-5-11(8)18-13(9)14/h2-7,15H,1H3
InChIKey
WRPFBSLWEKZESU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-4-methoxyxanthone
CAS: 58315-65-4
CID: 5464639
Formula: C14H10O4
MW: 242.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.23
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass242.05790880
Monoisotopic Mass242.05790880
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity330
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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