1-Octanesulfonic acid, sodium salt, monohydrate


Chemical Name: 1-Octanesulfonic acid, sodium salt, monohydrate
CAS Number: 207596-29-0
Product Number: AG002J55(AGN-PC-0QWJ22)
Synonyms:
MDL No:
Molecular Formula: C8H19NaO4S
Molecular Weight: 234.2888

Identification/Properties


Properties
MP:
300 °C
Storage:
Room Temperature;
Form:
Solid
Solubility:
H2O: soluble0.1g/mL, clear, colorless
Computed Properties
Molecular Weight:
234.286g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
234.09g/mol
Monoisotopic Mass:
234.09g/mol
Topological Polar Surface Area:
66.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
184
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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