Octanoic acid, 4-ethyl-


Chemical Name: Octanoic acid, 4-ethyl-
CAS Number: 16493-80-4
Product Number: AG001V5X(AGN-PC-0JL4P5)
Synonyms:
MDL No: MFCD00506494
Molecular Formula: C10H20O2
Molecular Weight: 172.2646

Identification/Properties


Properties
BP:
271.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
172.268g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
7
Exact Mass:
172.146g/mol
Monoisotopic Mass:
172.146g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
121
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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