5-Hexynoic acid, 1,1-dimethylethyl ester


Chemical Name: 5-Hexynoic acid, 1,1-dimethylethyl ester
CAS Number: 73448-14-3
Product Number: AG003APL(AGN-PC-0NDLZD)
Synonyms:
MDL No:
Molecular Formula: C10H16O2
Molecular Weight: 168.2328

Identification/Properties


Computed Properties
Molecular Weight:
168.236g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
168.115g/mol
Monoisotopic Mass:
168.115g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
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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