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Sodium octyl sulfate

CAT: 0862-GX3386-10gSize: 10 gDry Ice: NoHazardous: No
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CAT#:0862-GX3386-10gSize:10 g
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CAS Number
142-31-4
EC Number
205-535-5
MDL Number
MFCD00007470
HS Code
2920901090
Purity
98.50%
Molecular Formula
CH3 (CH2) 7OSO3Na
Molecular Weight
232.28
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Sodium Octyl Sulfate
CAS Number142-31-4
PubChem CID2735107
IUPAC Namesodium octyl sulfate
Molecular FormulaC8H17NaO4S
Molecular Weight232.28
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity198
SMILES
CCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKey
WFRKJMRGXGWHBM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Octyl Sulfate
CAS: 142-31-4
CID: 2735107
Formula: C8H17NaO4S
MW: 232.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight232.28
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass232.07452447
Monoisotopic Mass232.07452447
Topological Polar Surface Area74.8 Ų
Heavy Atom Count14
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 Count2
Compound Is CanonicalizedYes