Sodium 1-hexanesulfonate monohydrate - CAS 207300-91-2
Catalog:
BB016236
Product Name:
Sodium 1-hexanesulfonate monohydrate
CAS:
207300-91-2
Synonyms:
1-Hexanesulfonic acid sodium salt monohydrate
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BB016236
250 g
$268
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IUPAC Name: sodium;hexane-1-sulfonate;hydrate
Description: Sodium 1-hexanesulfonate monohydrate is a useful research chemical.
Molecular Weight: 206.24
Molecular Formula: C6H15NaO4S
Canonical SMILES: CCCCCCS(=O)(=O)[O-].O.[Na+]
InChI: InChI=1S/C6H14O3S.Na.H2O/c1-2-3-4-5-6-10(7,8)9;;/h2-6H2,1H3,(H,7,8,9);;1H2/q;+1;/p-1
InChI Key: CLCGFJYKZGFGSQ-UHFFFAOYSA-M
Melting Point: >300°C
Purity: 95 %
MDL: MFCD00149549
LogP: 2.12840
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Complexity: 159
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 3
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 206.05887441
Formal Charge: 0
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 206.05887441
Rotatable Bond Count: 5
Topological Polar Surface Area: 66.6
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
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