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207605-40-1 | 1-Pentanesulfonic acid, sodium salt, hydrate (1:1:1)
CAS No: 207605-40-1 Catalog No: AG002J5X MDL No:MFCD00149548
Product Description
Catalog Number:
AG002J5X
Chemical Name:
1-Pentanesulfonic acid, sodium salt, hydrate (1:1:1)
CAS Number:
207605-40-1
Molecular Formula:
C5H13NaO4S
Molecular Weight:
192.2091
MDL Number:
MFCD00149548
IUPAC Name:
sodium;pentane-1-sulfonate;hydrate
InChI:
InChI=1S/C5H12O3S.Na.H2O/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H,6,7,8);;1H2/q;+1;/p-1
InChI Key:
FPQYXAFKHLSWTI-UHFFFAOYSA-M
SMILES:
CCCCCS(=O)(=O)[O-].O.[Na+]
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.205g/mol
Monoisotopic Mass:
192.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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