3,8-Dimethoxyxanthone

CAT: 0926-XD161907-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XD161907-02Size:50 mg

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CAS Number

15069-44-0

Synonyms

1,6-Dimethoxy-9H-xanthen-9-one;1,6-Dimethoxyxanthone

Smiles

COC1=CC2=C (C=C1) C (=O) C3=C (O2) C=CC=C3OC

Molecular Formula

C15H12O4

Molecular Weight

256.25 g/mol

Controlled

Chemical Information

1,6-Dimethoxyxanthone

CAS Number	15069-44-0
PubChem CID	19612263
IUPAC Name	1,6-dimethoxyxanthen-9-one
Molecular Formula	C15H12O4
Molecular Weight	256.25
XLogP	2.9
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	343

SMILES

COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC=C3OC

InChI

InChI=1S/C15H12O4/c1-17-9-6-7-10-13(8-9)19-12-5-3-4-11(18-2)14(12)15(10)16/h3-8H,1-2H3

InChIKey

YVUNOTJSPXOLEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15069-44-0

CID: 19612263

Formula: C15H12O4

MW: 256.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.25
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	256.07355886
Monoisotopic Mass	256.07355886
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	343
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
SBA83349-01	2,3-Dimethoxyxanthone
KAA52738-01	4-Hydroxy-2,3-dimethoxyxanthone
DDA40533-01	1,7-Dihydroxy-2,3-dimethoxyxanthone
MKA29234-01	3,6-Dihydroxy-1,7-dimethoxyxanthone
QCA00802-01	1,5,6-Trihydroxy-3,7-dimethoxyxanthone
FD69741	8,3'-Dihydroxydaidzein
VAC-00598-01	γ-MSH (3-8)
UAA36072-01	3,8''-Binaringenin
FNB13537-01	8,3'-Diprenylapigenin
NKD11279-01	3-Methyl-8-thiabicyclo[3.2.1]octane-3-carboxylic acid 8,8-dioxide

Catalog	Name
GTR19277940-01	3,8-Dihydroxy-1,2-dimethoxyxanthone
GTR19180423	2,3-Dimethoxyxanthone
TN6128	2-Hydroxy-1,8-dimethoxyxanthone
AB1966	1-hydroxy-3,5-dimethoxyxanthone
MBS5788006	4-Hydroxy-2,3-dimethoxyxanthone
GTR19233558	3-Hydroxy-1,2-dimethoxyxanthone
HY-N13696	1,7-Dimethoxyxanthone
GTR19182968	3,6-Dihydroxy-1,7-dimethoxyxanthone
MBS5761163	1,7-Dihydroxy-2,3-dimethoxyxanthone