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3'-Allyl-4'-hydroxyacetophenone

CAT: 0013-GTR19252595-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252595-03Size:50 mg
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Description
3'-Allyl-4'-hydroxyacetophenone
CAS Number
1132-05-4
Smiles
CC (=O) c1ccc (O) c (CC=C) c1
Molecular Formula
C11H12O2
Molecular Weight
176.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3'-Allyl-4'-hydroxyacetophenone
CAS Number1132-05-4
PubChem CID259653
IUPAC Name1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
Molecular FormulaC11H12O2
Molecular Weight176.21
XLogP2.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity198
SMILES
CC(=O)C1=CC(=C(C=C1)O)CC=C
InChI
InChI=1S/C11H12O2/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-7,13H,1,4H2,2H3
InChIKey
XVTCWUFLNLZPEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Allyl-4'-hydroxyacetophenone
CAS: 1132-05-4
CID: 259653
Formula: C11H12O2
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass176.083729621
Monoisotopic Mass176.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity198
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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