3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid


Chemical Name: 3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid
CAS Number: 1082058-99-8
Product Number: AG007D90(AGN-PC-04ZO32)
Synonyms:
MDL No:
Molecular Formula: C18H16O2
Molecular Weight: 264.3184

Identification/Properties


Computed Properties
Molecular Weight:
264.324g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
264.115g/mol
Monoisotopic Mass:
264.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
379
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

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NMR Spectrum


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Chemical Structure



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