Pentanoic acid, 2-oxo-, ethyl ester


Chemical Name: Pentanoic acid, 2-oxo-, ethyl ester
CAS Number: 50461-74-0
Product Number: AG00DE17(AGN-PC-0JLOI2)
Synonyms:
MDL No:
Molecular Formula: C7H12O3
Molecular Weight: 144.1684

Identification/Properties


Computed Properties
Molecular Weight:
144.17g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
144.078644g/mol
Monoisotopic Mass:
144.078644g/mol
Topological Polar Surface Area:
43.4Ų
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
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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