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2,2′-Dihydroxy-4,6-dimethoxy-3-methylacetophenone

CAT: 0931-T83413-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T83413-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
184706-61-4
Bioactivity
2,2′-Dihydroxy-4,6-dimethoxy-3-methylacetophenone is a chemical compound isolated from the ethyl acetate (EtOAc) extract of spurge plant stems.
Smiles
O=C(C=1C(O)=C(C(OC)=CC1OC)C)CO
Molecular Formula
C11H14O5
Molecular Weight
226.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethanone, 2-hydroxy-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-
CAS Number184706-61-4
PubChem CID10609263
IUPAC Name2-hydroxy-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone
Molecular FormulaC11H14O5
Molecular Weight226.23
XLogP1.5
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity243
SMILES
CC1=C(C(=C(C=C1OC)OC)C(=O)CO)O
InChI
InChI=1S/C11H14O5/c1-6-8(15-2)4-9(16-3)10(11(6)14)7(13)5-12/h4,12,14H,5H2,1-3H3
InChIKey
GIXBAQKEJVBQMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanone, 2-hydroxy-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-
CAS: 184706-61-4
CID: 10609263
Formula: C11H14O5
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass226.08412354
Monoisotopic Mass226.08412354
Topological Polar Surface Area76 Ų
Heavy Atom Count16
Formal Charge0
Complexity243
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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Alternative Products

CatalogName
MBS58250622,2'-Dihydroxy-4,6-dimethoxy-3-methylacetophenone
GTR192171142,2′-Dihydroxy-4,6-dimethoxy-3-methylacetophenone
FD68015-014',6'-Dimethoxy-2'-hydroxy-3-methylacetophenone
GTR19251192-012',4'-Dihydroxy-3'-methylacetophenone
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