Sodium 1-octanesulfonate monohydrate

• Catalog Number: ACM207596290
• Product Name: Sodium 1-octanesulfonate monohydrate
• CAS: 207596-29-0
• Category: Main Products
• Synonyms: 1-Octanesulfonic acid sodium salt monohydrate
• IUPAC Name: sodium;octane-1-sulfonate;hydrate
• Molecular Weight: 234.29
• Molecular Formula: C8H21NaO4S
• 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 Sodium 1-octanesulfonate monohydrate?

The molecular formula of Sodium 1-octanesulfonate monohydrate is C8H19NaO4S.

What is the molecular weight of Sodium 1-octanesulfonate monohydrate?

The molecular weight of Sodium 1-octanesulfonate monohydrate is 234.29 g/mol.

What are the synonyms for Sodium 1-octanesulfonate monohydrate?

The synonyms for Sodium 1-octanesulfonate monohydrate include Sodium Octane-1-sulfonate Hydrate, 1-Octanesulfonic acid sodium salt monohydrate, and sodium;octane-1-sulfonate;hydrate.

What is the IUPAC name of Sodium 1-octanesulfonate monohydrate?

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

What is the InChI of Sodium 1-octanesulfonate monohydrate?

The InChI of Sodium 1-octanesulfonate monohydrate is 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.

What is the InChIKey of Sodium 1-octanesulfonate monohydrate?

The InChIKey of Sodium 1-octanesulfonate monohydrate is MBURIAHQXJQKRE-UHFFFAOYSA-M.

What is the canonical SMILES of Sodium 1-octanesulfonate monohydrate?

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

What is the CAS number of Sodium 1-octanesulfonate monohydrate?

The CAS number of Sodium 1-octanesulfonate monohydrate is 207596-29-0.

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

Sodium 1-octanesulfonate monohydrate has 1 hydrogen bond donor count.

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

Sodium 1-octanesulfonate monohydrate has 4 hydrogen bond acceptor counts.