(2S)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid


Chemical Name: (2S)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CAS Number: 15935-54-3
Product Number: AG001QN0(AGN-PC-0016O2)
Synonyms:
MDL No:
Molecular Formula: C13H16O4
Molecular Weight: 236.2637

Identification/Properties


Computed Properties
Molecular Weight:
236.267g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
236.105g/mol
Monoisotopic Mass:
236.105g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
279
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



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