1-Hexanesulfonic acid sodium salt monohydrate

• Catalog Number: ACM207300912
• Product Name: 1-Hexanesulfonic acid sodium salt monohydrate
• CAS: 207300-91-2
• Category: Organic Phosphine Compounds
• Synonyms: 1-Hexanesulfonic acid sodium salt monohydrate; Sodium 1-hexanesulfonate monohydrate; potassium hexane-1-sulfonate hydrate; sodium hexane-1-sulfonate hydrate; sodium 1-hexanesulfonate hydrate; n-1-HEXANESULFONIC ACID
• IUPAC Name: sodium;hexane-1-sulfonate;hydrate
• Molecular Weight: 206.24
• Molecular Formula: C₆H₁₅NaO₄S
• Canonical SMILES: CCCCCCS(=O)(=O)[O-].O.[Na+]
• InChI Key: CLCGFJYKZGFGSQ-UHFFFAOYSA-M
• Melting Point: >300ºC
• Appearance: white powder
• EC Number: 220-601-3
• Exact Mass: 206.05900

Custom Q&A

What is the molecular formula of sodium 1-hexanesulfonate monohydrate?

The molecular formula is C6H15NaO4S.

What is the molecular weight of sodium 1-hexanesulfonate monohydrate?

The molecular weight is 206.24 g/mol.

What is the IUPAC name of sodium 1-hexanesulfonate monohydrate?

The IUPAC name is sodium;hexane-1-sulfonate;hydrate.

What is the InChI code of sodium 1-hexanesulfonate monohydrate?

The InChI code is 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.

What is the InChIKey of sodium 1-hexanesulfonate monohydrate?

The InChIKey is CLCGFJYKZGFGSQ-UHFFFAOYSA-M.

What is the canonical SMILES of sodium 1-hexanesulfonate monohydrate?

The canonical SMILES is CCCCCCS(=O)(=O)[O-].O.[Na+].

How many hydrogen bond donor counts does sodium 1-hexanesulfonate monohydrate have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does sodium 1-hexanesulfonate monohydrate have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does sodium 1-hexanesulfonate monohydrate have?

It has 5 rotatable bond counts.

Is sodium 1-hexanesulfonate monohydrate a canonicalized compound?

Yes, it is a canonicalized compound.