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20449-08-5 | Propanoic acid, 2-sulfo-, 1-ethyl ester, potassium salt (1:1)
CAS No: 20449-08-5 Catalog No: AG0029IR MDL No:
Product Description
Catalog Number:
AG0029IR
Chemical Name:
Propanoic acid, 2-sulfo-, 1-ethyl ester, potassium salt (1:1)
CAS Number:
20449-08-5
Molecular Formula:
C5H10KO5S
Molecular Weight:
221.2932
IUPAC Name:
1-ethoxy-1-oxopropane-2-sulfonic acid
InChI:
InChI=1S/C5H10O5S/c1-3-10-5(6)4(2)11(7,8)9/h4H,3H2,1-2H3,(H,7,8,9)
InChI Key:
UMCNPUBGDLSUEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(S(=O)(=O)O)C.[K]
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.19g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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