Octanoic acid, 7-oxo-, ethyl ester


Chemical Name: Octanoic acid, 7-oxo-, ethyl ester
CAS Number: 36651-36-2
Product Number: AG00CZ0P(AGN-PC-0JP7SU)
Synonyms:
MDL No:
Molecular Formula: C10H18O3
Molecular Weight: 186.2481

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
186.251g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
186.126g/mol
Monoisotopic Mass:
186.126g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
164
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


Other Analytical Data


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