1-Octanesulfonic acid

C₈H₁₈O₃SCAS 3944-72-7194.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O₃S
Molar mass: 194.29 g/mol
Exact mass: 194.0977 Da
Melting point: 103–104 °C
logP: 2.23Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Identifiers

CAS number

3944-72-7

SMILES

CCCCCCCCS(=O)(=O)O

InChIKey

WLGDAKIJYPIYLR-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

n-Octanesulfonic acid
Octylsulfonic acid

Work with 1-Octanesulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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