Propanoic acid, 3-(methylthio)-, methyl ester


Chemical Name: Propanoic acid, 3-(methylthio)-, methyl ester
CAS Number: 13532-18-8
Product Number: AG003RPW(AGN-PC-03DBYI)
Synonyms:
MDL No:
Molecular Formula: C5H10O2S
Molecular Weight: 134.1967

Identification/Properties


Properties
BP:
184.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.465(lit.)
Computed Properties
Molecular Weight:
134.193g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
134.04g/mol
Monoisotopic Mass:
134.04g/mol
Topological Polar Surface Area:
51.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
72.8
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


NMR Spectrum


Other Analytical Data


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