Isobutyl Octyl oxalate


Chemical Name: Isobutyl Octyl oxalate
CAS Number: 959275-41-3
Product Number: AG00IKEN(AGN-PC-0WAK9Z)
Synonyms:
MDL No:
Molecular Formula: C14H26O4
Molecular Weight: 258.3538

Identification/Properties


Computed Properties
Molecular Weight:
258.358g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
12
Exact Mass:
258.183g/mol
Monoisotopic Mass:
258.183g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
236
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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