Octadecanoic-1-13C acid


Chemical Name: Octadecanoic-1-13C acid
CAS Number: 85541-42-0
Product Number: AG008HK2(AGN-PC-0V15AS)
Synonyms:
MDL No:
Molecular Formula: C18H36O2
Molecular Weight: 285.4699

Identification/Properties


Computed Properties
Molecular Weight:
285.476g/mol
XLogP3:
7.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
16
Exact Mass:
285.275g/mol
Monoisotopic Mass:
285.275g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
202
Isotope Atom Count:
1
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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