Base information

Cat. No.
CAS No.75965-35-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C36H54BLiO6
Molecular Weight 600.562
Exact Mass 600.417
XLogP3 7.1909
Mr 182.69
PSA 55.38
Sequence -
Atom number 98
Bond number 103
Ring number 7
Rotor number 4
Residues number 0
Canonical smiles C1=CC=CC=[CH-]1[B+3]([CH-]1=CC=CC=C1)([CH-]1=CC=CC=C1)[CH-]1=CC=CC=C1.C[O]1CC[O]([Li+]231([O](C)CC[O]3C)[O](C)CC[O]2C)C

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