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Chemical structure of Chrysene-d12

GC63430

Chrysene-d12

Also known as 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriochrysene

Chrysene-d12 is the deuterium labeled Chrysene· Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties

ChemicalCAS1719-03-5MW240.36FormulaC18D12
CAS number
1719-03-5
Molecular weight
240.36
Formula
C18D12
InChIKey
WDECIBYCCFPHNR-AQZSQYOVSA-N
Catalogue number
GC63430
Brand
GLPBIO
Computed properties PubChem CID 3083729 · XLogP 5.7 · TPSA 0 Ų · H-bond donors 0
XLogP
5.7
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=C2C(=C(C4=C(C(=C(C(=C43)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]

Computed descriptors from PubChem (CID 3083729), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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