(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoic acid


Chemical Name: (2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
CAS Number: 91702-98-6
Product Number: AG00IGUF(AGN-PC-0LW8OP)
Synonyms:
MDL No: MFCD00236751
Molecular Formula: C12H14O3S
Molecular Weight: 238.30276

Identification/Properties


Computed Properties
Molecular Weight:
238.301g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
238.066g/mol
Monoisotopic Mass:
238.066g/mol
Topological Polar Surface Area:
79.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
247
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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