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8-Methyl chrysophanol

CAT: 0926-DAA30025-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-DAA30025-01Size:25 mg
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CAS Number
3300-25-2
Smiles
CCC1=NC (=NO1) C2=CC3=CC=CC=C3N=C2N4CCNCC4
Molecular Formula
C16H12O4
Molecular Weight
268.26 g/mol
Controlled
No

Chemical Information

1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione

1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione has been reported in Senna obtusifolia, Senna didymobotrya, and other organisms with data available.

CAS Number3300-25-2
PubChem CID11300144
IUPAC Name1-hydroxy-8-methoxy-3-methylanthracene-9,10-dione
Molecular FormulaC16H12O4
Molecular Weight268.26
XLogP3.4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity419
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC
InChI
InChI=1S/C16H12O4/c1-8-6-10-13(11(17)7-8)16(19)14-9(15(10)18)4-3-5-12(14)20-2/h3-7,17H,1-2H3
InChIKey
HOGWLZYYLVDAOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione
CAS: 3300-25-2
CID: 11300144
Formula: C16H12O4
MW: 268.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.26
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass268.07355886
Monoisotopic Mass268.07355886
Topological Polar Surface Area63.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity419
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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CatalogName
MBS3613899-018-Methyl Chrysophanol
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HY-N2395RChrysophanol 8-O-glucoside (Standard)
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MBS3841087-01Chrysophanol-8-O-beta-D-glucopyranoside
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A15402-200Chrysophanol-8-O-beta-D-glucopyranoside 200mg
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