2-[4-(2-methylpropanoyl)phenyl]propanoic acid


Chemical Name: 2-[4-(2-methylpropanoyl)phenyl]propanoic acid
CAS Number: 65813-55-0
Product Number: AG00FAR8(AGN-PC-00ACBI)
Synonyms:
MDL No:
Molecular Formula: C13H16O3
Molecular Weight: 220.2643

Identification/Properties


Properties
MP:
88-91ºC
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
220.268g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
220.11g/mol
Monoisotopic Mass:
220.11g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
262
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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