Propanoic acid, 2-methyl-3-(phenylthio)-


Chemical Name: Propanoic acid, 2-methyl-3-(phenylthio)-
CAS Number: 775-20-2
Product Number: AG01AHB7(AGN-PC-098V4T)
Synonyms:
MDL No:
Molecular Formula: C10H12O2S
Molecular Weight: 196.2661

Identification/Properties


Computed Properties
Molecular Weight:
196.264g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
196.056g/mol
Monoisotopic Mass:
196.056g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
164
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


NMR Spectrum


Other Analytical Data


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