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Phenyl Ethenesulfonate

CAT: 0572-TRC-P399375-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P399375-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1562-34-1
Synonyms
Phenyl Ethylenesulfonate; Phenyl Vinylsulfonate;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
C=CS(=O)(=O)Oc1ccccc1
Molecular Formula
C8H8O3S
Molecular Weight
184.21
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phenyl ethenesulfonate
CAS Number1562-34-1
PubChem CID564920
IUPAC Namephenyl ethenesulfonate
Molecular FormulaC8H8O3S
Molecular Weight184.21
XLogP1.7
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity232
SMILES
C=CS(=O)(=O)OC1=CC=CC=C1
InChI
InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey
CILDJVVXNMDAGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenyl ethenesulfonate
CAS: 1562-34-1
CID: 564920
Formula: C8H8O3S
MW: 184.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.21
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass184.01941529
Monoisotopic Mass184.01941529
Topological Polar Surface Area51.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity232
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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