Acetic acid, oxo-, hexyl ester


Chemical Name: Acetic acid, oxo-, hexyl ester
CAS Number: 52709-43-0
Product Number: AG00DDAS(AGN-PC-03LBIG)
Synonyms:
MDL No:
Molecular Formula: C8H14O3
Molecular Weight: 158.19496

Identification/Properties


Computed Properties
Molecular Weight:
158.197g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
158.094g/mol
Monoisotopic Mass:
158.094g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
121
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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