Sodium 1-heptanesulfonate monohydrate

Catalog Number	ACM207300901-1
CAS	207300-90-1
Structure
Synonyms	1-Heptanesulfonic acid sodium salt monohydrate
IUPAC Name	sodium;heptane-1-sulfonate;hydrate
Molecular Weight	220.26
Molecular Formula	C7H17NaO4S
Canonical SMILES	CCCCCCCS(=O)(=O)[O-].O.[Na+]
InChI	InChI=1S/C7H16O3S.Na.H₂O/c1-2-3-4-5-6-7-11(8,9)10;;/h2-7H2,1H3,(H,8,9,10);;1H2/q;+1;/p-1
InChI Key	XWZCREJRXRKIRQ-UHFFFAOYSA-M
Melting Point	300 °C
Purity	≥99%
Solubility	Slightly soluble in water
Appearance	Solid
Complexity	172
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
EC Number	245-210-5
Exact Mass	220.07452447
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCS(=O)(=O)[O-].O.[Na+]
MDL Number	MFCD00149550
Monoisotopic Mass	220.07452447
Physical State	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	66.6 Ų

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Sodium 1-heptanesulfonate monohydrate (207300-90-1)

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