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5802-89-1 | 1-TRIDECANESULFONIC ACID SODIUM SALT
CAS No: 5802-89-1 Catalog No: AG003EO1 MDL No:MFCD00024993
Product Description
Catalog Number:
AG003EO1
Chemical Name:
1-TRIDECANESULFONIC ACID SODIUM SALT
CAS Number:
5802-89-1
Molecular Formula:
C13H27NaO3S
Molecular Weight:
286.4065
MDL Number:
MFCD00024993
IUPAC Name:
sodium;tridecane-1-sulfonate
InChI:
InChI=1S/C13H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1
InChI Key:
CACJZDMMUHMEBN-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.406g/mol
Monoisotopic Mass:
286.158g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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