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2,6-Dimethoxy-4-hydroxyacetophenone

CAT: 0013-GTR19256256-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256256-01Size:50 mg
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Description
2,6-Dimethoxy-4-hydroxyacetophenone is an acetophenone compound found in the bulbs of Pancratium maritimum.
CAS Number
13246-14-5
Smiles
O=C (C=1C (OC) =CC (O) =CC1OC) C
Molecular Formula
C10H12O4
Molecular Weight
196.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2',6'-Dimethoxy-4'-hydroxyacetophenone

2',6'-dimethoxy-4'-hydroxyacetophenone is a monohydroxyacetophenone that is acetophenone substituted by methoxy groups at positions 2' and 6' and a hydroxy group at position 4'. It has a role as a plant metabolite. It is a monohydroxyacetophenone, a member of phenols and a dimethoxybenzene.

CAS Number13246-14-5
PubChem CID442904
IUPAC Name1-(4-hydroxy-2,6-dimethoxyphenyl)ethanone
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP0.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity190
SMILES
CC(=O)C1=C(C=C(C=C1OC)O)OC
InChI
InChI=1S/C10H12O4/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3/h4-5,12H,1-3H3
InChIKey
AZRTXUQINTVMDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',6'-Dimethoxy-4'-hydroxyacetophenone
CAS: 13246-14-5
CID: 442904
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity190
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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