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2,2'-Dipyridyl-d8

Catalog Number ACM32190424-1
CAS 32190-42-4
Structure 2,2'-Dipyridyl-d8
Synonyms 2,2'-Bipyridine; α,α'-Dipyridyl
IUPAC Name 2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuteriopyridin-2-yl)pyridine
Molecular Weight 164.24
Molecular Formula C10D8N2
Canonical SMILES C1=CC=NC(=C1)C2=CC=CC=N2
InChI ROFVEXUMMXZLPA-PGRXLJNUSA-N
InChI Key InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
Boiling Point 273 °C-lit.
Melting Point 70-73 °C-lit.
Exact Mass 164.118962231
Heavy Atom Count 12
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
Isomeric SMILES [2H]C1=C(C(=NC(=C1[2H])C2=C(C(=C(C(=N2)[2H])[2H])[2H])[2H])[2H])[2H]
Monoisotopic Mass 164.118962231
Rotatable Bond Count 1
Topological Polar Surface Area 25.8 Ų

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