Hexanoic acid, 6-oxo-, methyl ester


Chemical Name: Hexanoic acid, 6-oxo-, methyl ester
CAS Number: 6654-36-0
Product Number: AG00FDK5(AGN-PC-0JLT2H)
Synonyms:
MDL No:
Molecular Formula: C7H12O3
Molecular Weight: 144.16838

Identification/Properties


Computed Properties
Molecular Weight:
144.17g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
144.079g/mol
Monoisotopic Mass:
144.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
109
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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