Propanoic acid, 3-(methylsulfonyl)-, ethyl ester


Chemical Name: Propanoic acid, 3-(methylsulfonyl)-, ethyl ester
CAS Number: 118675-14-2
Product Number: AG00HEPK(AGN-PC-0CHBQY)
Synonyms:
MDL No:
Molecular Formula: C6H12O4S
Molecular Weight: 180.2221

Identification/Properties


Computed Properties
Molecular Weight:
180.218g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
180.046g/mol
Monoisotopic Mass:
180.046g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
211
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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