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Chemical structure of Benz[a]anthracene-d12

GC76787

Benz[a]anthracene-d12

Also known as 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene

Benz[a]anthracene-d12 is the deuterium labeled Benz[a]anthracene

ChemicalCAS1718-53-2MW240.36FormulaC18D12
CAS number
1718-53-2
Molecular weight
240.36
Formula
C18D12
InChIKey
DXBHBZVCASKNBY-AQZSQYOVSA-N
Catalogue number
GC76787
Brand
GLPBIO
Computed properties PubChem CID 12279531 · XLogP 5.8 · TPSA 0 Ų · H-bond donors 0
XLogP
5.8
TPSA
0 Ų
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
18

SMILES [2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C4=C(C(=C(C(=C4C(=C32)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]

Computed descriptors from PubChem (CID 12279531), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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