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3,5-Diacetoxy Styrene

CAT: 0024-sc-209713Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-209713Size:25 mg
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CAS Number
155222-48-3

Chemical Information

3,5-Diacetoxy Styrene
CAS Number155222-48-3
PubChem CID11310559
IUPAC Name(3-acetyloxy-5-ethenylphenyl) acetate
Molecular FormulaC12H12O4
Molecular Weight220.22
XLogP2.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity261
SMILES
CC(=O)OC1=CC(=CC(=C1)C=C)OC(=O)C
InChI
InChI=1S/C12H12O4/c1-4-10-5-11(15-8(2)13)7-12(6-10)16-9(3)14/h4-7H,1H2,2-3H3
InChIKey
JEKQGWWKEWSQCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Diacetoxy Styrene
CAS: 155222-48-3
CID: 11310559
Formula: C12H12O4
MW: 220.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.22
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass220.07355886
Monoisotopic Mass220.07355886
Topological Polar Surface Area52.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity261
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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0088453,5-Diacetoxy Styrene
A1657603-Acetoxy-5-hydroxy Styrene
PC5003753-Chloro-5- (trifluoromethoxy) styrene
PC9182-013,5-Bis (trifluoromethyl) styrene
PC4018-013- (Trifluoromethyl) styrene
PC5007523- (Trifluoromethoxy) styrene
PC511493- (Pentafluorothio) styrene
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