Base information

Cat. No.
CAS No.2694-78-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C13H5D5O
Molecular Weight 187.249
Exact Mass 187.105
XLogP3 2.9176
Mr 56.3165
PSA 17.07
Sequence -
Atom number 24
Bond number 25
Ring number 2
Rotor number 2
Residues number 0
Canonical smiles [2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(=O)c1ccccc1

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