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Sodium Tridecyl Sulfate

CAT: 0572-TRC-S413770-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S413770-1GSize:1 g
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CAS Number
3026-63-9
Synonyms
Sodium Tridecyl Sulfate
Hazard Statement
No Data Available
Smiles
[Na+].CCCCCCCCCCCCCOS(=O)(=O)[O-]
Molecular Formula
C13 H27 O4 S . Na
Molecular Weight
302.406
InChI
InChI=1S/C13H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1
Additionnal Information
IUPAC name: sodium;tridecyl sulfate
Shipping Conditions
Room Temperature

Chemical Information

Sodium Tridecyl Sulfate
CAS Number3026-63-9
PubChem CID23668353
IUPAC Namesodium tridecyl sulfate
Molecular FormulaC13H27NaO4S
Molecular Weight302.41
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count19
Formal Charge0
Complexity262
SMILES
CCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C13H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1
InChIKey
HQCFDOOSGDZRII-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Tridecyl Sulfate
CAS: 3026-63-9
CID: 23668353
Formula: C13H27NaO4S
MW: 302.41
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.41
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass302.15277479
Monoisotopic Mass302.15277479
Topological Polar Surface Area74.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity262
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