Heptanoic acid, 6-oxo-


Chemical Name: Heptanoic acid, 6-oxo-
CAS Number: 3128-07-2
Product Number: AG00346F(AGN-PC-0JM38O)
Synonyms:
MDL No:
Molecular Formula: C7H12O3
Molecular Weight: 144.1684

Identification/Properties


Properties
MP:
35-37 °C(lit.)
BP:
299.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
144.17g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
144.079g/mol
Monoisotopic Mass:
144.079g/mol
Topological Polar Surface Area:
54.4A^2
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

Safety Information


NMR Spectrum


PNMR/5-Acetylvaleric_acid-3128-07-2-hnmr.pdf

Other Analytical Data


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