Sodium 1-octanesulfonate

Catalog Number	ACM5324845
CAS	5324-84-5
Structure
Synonyms	1-Octanesulfonic acid sodium salt
IUPAC Name	Sodium;octane-1-sulfonate
Molecular Weight	216.28
Molecular Formula	C8H17NaO3S
Canonical SMILES	CCCCCCCCS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChI Key	HRQDCDQDOPSGBR-UHFFFAOYSA-M
Boiling Point	>300ºC(lit.)
Melting Point	>300°C(lit.)
Purity	99%+
Density	1.084 g/cm³
Solubility	water, 3.078e+005 mg/L @ 25 °C (est)
Appearance	Clear colorless
Complexity	184
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
EC Number	226-195-4
Exact Mass	216.07960986
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
MDL Number	MFCD00007544
Monoisotopic Mass	216.07960986
Physical State	Crystalline powder
Rotatable Bond Count	7
Stability	Stable. Incompatible with strong oxidizing agents.
Storage Conditions	Store in a cool, dry place. Keep container closed when not in use.
Topological Polar Surface Area	65.6 Ų
WGK Germany	3

Knowledge & Learning Case Study Q&A

What is the molecular formula of Sodium 1-octanesulfonate?

The molecular formula of Sodium 1-octanesulfonate is C8H17NaO3S.

What is the molecular weight of Sodium 1-octanesulfonate?

The molecular weight of Sodium 1-octanesulfonate is 216.28 g/mol.

What is the IUPAC name of Sodium 1-octanesulfonate?

The IUPAC name of Sodium 1-octanesulfonate is sodium octane-1-sulfonate.

What is the InChIKey of Sodium 1-octanesulfonate?

The InChIKey of Sodium 1-octanesulfonate is HRQDCDQDOPSGBR-UHFFFAOYSA-M.

What is the canonical SMILES of Sodium 1-octanesulfonate?

The canonical SMILES of Sodium 1-octanesulfonate is CCCCCCCCS(=O)(=O)[O-].[Na+].

What is the CAS number of Sodium 1-octanesulfonate?

The CAS number of Sodium 1-octanesulfonate is 5324-84-5.

How many hydrogen bond acceptor counts does Sodium 1-octanesulfonate have?

Sodium 1-octanesulfonate has 3 hydrogen bond acceptor counts.

What is the exact mass of Sodium 1-octanesulfonate?

The exact mass of Sodium 1-octanesulfonate is 216.07960986 g/mol.

How many rotatable bond counts does Sodium 1-octanesulfonate have?

Sodium 1-octanesulfonate has 7 rotatable bond counts.

What is the topological polar surface area of Sodium 1-octanesulfonate?

The topological polar surface area of Sodium 1-octanesulfonate is 65.6Ų.

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Sodium 1-octanesulfonate (5324-84-5)

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