ethyl 2-(methylsulfonyl)propanoate


Chemical Name: ethyl 2-(methylsulfonyl)propanoate
CAS Number: 73017-82-0
Product Number: AG00FHJQ(AGN-PC-0WAKGQ)
Synonyms:
MDL No:
Molecular Formula: C6H12O4S
Molecular Weight: 180.2221

Identification/Properties


Computed Properties
Molecular Weight:
180.218g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
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:
224
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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