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9-Hydroxyxanthene

CAT: 0926-FH11917-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FH11917-03Size:100 g
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CAS Number
90-46-0
Synonyms
9-Xanthenol; Xanthydrol
MDL Number
MFCD00005057
Smiles
OC1c2ccccc2Oc3ccccc13
Molecular Formula
C13H10O2
Molecular Weight
198.22 g/mol
Controlled
No

Chemical Information

Xanthydrol

xanthydrol has been reported in Xanthium spinosum and Xanthium strumarium with data available.

CAS Number90-46-0
PubChem CID72861
IUPAC Name9H-xanthen-9-ol
Molecular FormulaC13H10O2
Molecular Weight198.22
XLogP1.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity207
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
InChI
InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H
InChIKey
JFRMYMMIJXLMBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthydrol
CAS: 90-46-0
CID: 72861
Formula: C13H10O2
MW: 198.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.22
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass198.068079557
Monoisotopic Mass198.068079557
Topological Polar Surface Area29.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
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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