Sodium 1-octanesulfonate monohydrate

• CAS: 207596-29-0
• Catalog Number: ACM207596290
• Category: Main Products
• Molecular Weight: 234.29
• Molecular Formula: C8H21NaO4S
• Synonyms: 1-Octanesulfonic acid sodium salt monohydrate
• IUPAC Name: sodium;octane-1-sulfonate;hydrate
• InChI: InChI=1S/C8H18O3S.Na.H₂O/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H,9,10,11);;1H2/q;+1;/p-1
• InChI Key: MBURIAHQXJQKRE-UHFFFAOYSA-M
• Melting Point: ≥300 °C (lit.)
• Appearance: Sheet
• Complexity: 184
• EC Number: 226-195-4
• Exact Mass: 234.09017454
• Formal Charge: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: CCCCCCCCS(=O)(=O)[O-].O.[Na+]
• MDL Number: MFCD00149551
• Monoisotopic Mass: 234.09017454
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 66.6 Ų

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C8H19NaO4S.

What are some synonyms for the compound?

Some synonyms for the compound include Sodium Octane-1-sulfonate Hydrate, 1-Octanesulfonic acid sodium salt monohydrate, and Sodium 1-octanesulfonate monohydrate.

What is the molecular weight of the compound?

The molecular weight of the compound is 234.29 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is sodium;octane-1-sulfonate;hydrate.

What is the InChI key of the compound?

The InChI key of the compound is MBURIAHQXJQKRE-UHFFFAOYSA-M.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number of the compound is 695-274-7.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 66.6Ų.

How many rotatable bond counts does the compound have?

The compound has 7 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.