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207300-90-1 | 1-Heptanesulfonic acid, sodium salt, hydrate (1:1:1)
CAS No: 207300-90-1 Catalog No: AG002IY8 MDL No:MFCD00149550
Product Description
Catalog Number:
AG002IY8
Chemical Name:
1-Heptanesulfonic acid, sodium salt, hydrate (1:1:1)
CAS Number:
207300-90-1
Molecular Formula:
C7H17NaO4S
Molecular Weight:
220.2623
MDL Number:
MFCD00149550
IUPAC Name:
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
InChI Key:
XWZCREJRXRKIRQ-UHFFFAOYSA-M
SMILES:
CCCCCCCS(=O)(=O)[O-].O.[Na+]
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.259g/mol
Monoisotopic Mass:
220.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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