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(2,6-Dimethoxy-4-hydroxyphenyl)acetone

CAT: 0572-TRC-D267575-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D267575-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2215-80-7
Hazard Statement
No Data Available
Smiles
COc1cc(O)cc(OC)c1CC(=O)C
Molecular Formula
C11 H14 O4
Molecular Weight
210.226
InChI
InChI=1S/C11H14O4/c1-7(12)4-9-10(14-2)5-8(13)6-11(9)15-3/h5-6,13H,4H2,1-3H3
Additionnal Information
IUPAC name: 1-(4-hydroxy-2,6-dimethoxyphenyl)propan-2-one
Shipping Conditions
Room Temperature

Chemical Information

2-Propanone, 1-(4-hydroxy-2,6-dimethoxyphenyl)
CAS Number2215-80-7
PubChem CID241785
IUPAC Name1-(4-hydroxy-2,6-dimethoxyphenyl)propan-2-one
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP1.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
CC(=O)CC1=C(C=C(C=C1OC)O)OC
InChI
InChI=1S/C11H14O4/c1-7(12)4-9-10(14-2)5-8(13)6-11(9)15-3/h5-6,13H,4H2,1-3H3
InChIKey
PSOSBAWVFAPART-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propanone, 1-(4-hydroxy-2,6-dimethoxyphenyl)
CAS: 2215-80-7
CID: 241785
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
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
FD66784-01(3,4-Dimethoxy-5-hydroxyphenyl) acetone
FD67308-01(3,5-Dimethoxy-4-hydroxyphenyl) acetone
FD67562-01(2,6-Dimethoxy-4-methylphenyl) acetone
FH67251-01(4-Hydroxyphenyl) acetone
FC66974-01(2-Chloro-4-hydroxyphenyl) acetone
M387586,7-dimethoxy-2-[2- (4-hydroxyphenyl) ethyl]chromone
AB35106,7-dimethoxy-2-[2- (4'-hydroxyphenyl) ethenyl]chromone
M390776,7-dimethoxy-2-[2- (4-hydroxyphenyl) ethenyl]chromone
FC66857-01(3-Chloro-4-hydroxyphenyl) acetone
FB68047-01(3-Bromo-4-hydroxyphenyl) acetone

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