Hexanoic acid, 5-oxo-


Chemical Name: Hexanoic acid, 5-oxo-
CAS Number: 3128-06-1
Product Number: AG003MY4(AGN-PC-0CF7JM)
Synonyms:
MDL No:
Molecular Formula: C6H10O3
Molecular Weight: 130.1418

Identification/Properties


Properties
MP:
13-14 °C
BP:
275.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.4451(lit.)
Computed Properties
Molecular Weight:
130.143g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
130.063g/mol
Monoisotopic Mass:
130.063g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
118
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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