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7356-56-1 | 1-Propanesulfonic acid, 1-hydroxy-2-methyl-, monosodium salt,monohydrate
CAS No: 7356-56-1 Catalog No: AG01FM70 MDL No:MFCD30342700
Product Description
Catalog Number:
AG01FM70
Chemical Name:
1-Propanesulfonic acid, 1-hydroxy-2-methyl-, monosodium salt,monohydrate
CAS Number:
7356-56-1
Molecular Formula:
C4H11NaO5S
Molecular Weight:
194.1819
MDL Number:
MFCD30342700
IUPAC Name:
sodium;1-hydroxy-2-methylpropane-1-sulfonate;hydrate
InChI:
InChI=1S/C4H10O4S.Na.H2O/c1-3(2)4(5)9(6,7)8;;/h3-5H,1-2H3,(H,6,7,8);;1H2/q;+1;/p-1
InChI Key:
AWZVJLVTASPKNH-UHFFFAOYSA-M
SMILES:
OC(S(=O)(=O)[O-])C(C)C.O.[Na+]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.022g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.177g/mol
Monoisotopic Mass:
194.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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