3,4-dihydroxyxanthen-9-one

CAT: 1266-JH287237Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH287237Size:1 Each

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CAS Number

39731-48-1

HS Code

2933990099

Stability

Stable at room temperature in closed containers under normal storage and handling conditions.

Molecular Formula

C13H8O4

Product Name Synonym

3,4-Dihydroxyxanthone

Chemical Information

3,4-Dihydroxy-xanthone

3,4-Dihydroxy-xanthone has been reported in Calophyllum membranaceum with data available.

CAS Number	39731-48-1
PubChem CID	5748382
IUPAC Name	3,4-dihydroxyxanthen-9-one
Molecular Formula	C13H8O4
Molecular Weight	228.20
XLogP	2.3
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	317

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=C(C=C3)O)O

InChI

InChI=1S/C13H8O4/c14-9-6-5-8-11(15)7-3-1-2-4-10(7)17-13(8)12(9)16/h1-6,14,16H

InChIKey

YFVCSEXMOBEPQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39731-48-1

CID: 5748382

Formula: C13H8O4

MW: 228.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.20
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	228.04225873
Monoisotopic Mass	228.04225873
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH141451	1-chloro-4-propoxythioxanthen-9-one
JH915721	9,9-BIS (3,4-DICARBOXYPHENYL) FLUORENE DIANHYDRIDE
JH919986	3-phenyl-9H-Fluoren-9-one
JH919423	4,4'-Dibromo-9,9'-spirobifluorene
JH919417	9H-Fluorene, 4-bromo-9- (3-chlorophenyl) -9-phenyl-
JH920463	9-chlorophenanthro[4,3-b]benzofuran
JH308965	Fluoren-9-one
JH917597	4- (4-bromophenyl) -9,9'-spiro[fluorene]
JH123521	9- ([1,1'-biphenyl]-4-yl) -9H,9'H-3,3'-bicarbazole
JH917790	9,9'-biphenyl-4,4'-diylbis (9H-fluoren-9-ol)

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QFA24184-01	9-Methyl-9-azabicyclo[4.2.1]nonan-3-one
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