172507-33-4 Purity
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Specification
The molecular formula of N-Octane-d18 is C8H18.
The molecular weight of N-Octane-d18 is 132.34 g/mol.
The IUPAC name of N-Octane-d18 is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane.
The InChI of N-Octane-d18 is InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2.
The InChIKey of N-Octane-d18 is TVMXDCGIABBOFY-VAZJTQEUSA-N.
The canonical SMILES of N-Octane-d18 is CCCCCCCC.
The CAS number of N-Octane-d18 is 17252-77-6.
The XLogP3 value of N-Octane-d18 is 3.9.
The hydrogen bond donor count of N-Octane-d18 is 0.
Yes, N-Octane-d18 is a canonicalized compound.