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Allyl phenoxyacetate

CAT: 0013-GTR19252360-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19252360-01Size:1 g
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Description
Allyl phenoxyacetate
CAS Number
7493-74-5
Purity
99.89% (May vary between batches)
Smiles
C=CCOC (=O) COc1ccccc1
Molecular Formula
C11H12O3
Molecular Weight
192.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Allyl phenoxyacetate

Allyl phenoxyacetate is a monocarboxylic acid.

CAS Number7493-74-5
PubChem CID24117
IUPAC Nameprop-2-enyl 2-phenoxyacetate
Molecular FormulaC11H12O3
Molecular Weight192.21
XLogP2.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity183
SMILES
C=CCOC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKey
VUFZVGQUAVDKMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Allyl phenoxyacetate
CAS: 7493-74-5
CID: 24117
Formula: C11H12O3
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass192.078644241
Monoisotopic Mass192.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity183
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
A15240Allyl Phenoxyacetate
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sc-235063Ethyl phenoxyacetate
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OR1065964-01MEthyl- (3-bromomethyl) phenoxyacetate
OR1053462-01Sodium 2-phenoxyacetate hydrate
OR1053426-01Tert-Butyl 2-phenoxyacetate
sc-300678Ethyl phenoxyacetate-4-trifluoroborate potassium salt
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