sodium heptane-1-sulfonate hydrate

sodium heptane-1-sulfonate hydrate

CAS: 207300-90-1

Formula: C7H17NaO4S

SMILES: O.[Na+].CCCCCCCS([O-])(=O)=O

IUPAC: sodium heptane-1-sulfonate hydrate

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

Composition: C (38.17%), H (7.78%), Na (10.44%), O (29.05%), S (14.56%)

Molar Mass: 220.26

Atom Count: 30

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	220.07452448
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XWZCREJRXRKIRQ-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	43.21
Topological Polar Surface Area	57.2
Polarizability	18.17
Ring Count	0
Rotatable Bond Count	6

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