2-Propynoic acid, 3-(4-chlorophenyl)-, ethyl ester


Chemical Name: 2-Propynoic acid, 3-(4-chlorophenyl)-, ethyl ester
CAS Number: 20026-96-4
Product Number: AG002CMN(AGN-PC-0JU7P6)
Synonyms:
MDL No:
Molecular Formula: C11H9ClO2
Molecular Weight: 208.6410

Identification/Properties


Computed Properties
Molecular Weight:
208.641g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
208.029g/mol
Monoisotopic Mass:
208.029g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
253
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

Safety Information


NMR Spectrum


Other Analytical Data


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