Base information

Cat. No.
CAS No.74079-01-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C10H6D4O4
Molecular Weight 198.209
Exact Mass 198.083
XLogP3 1.2598
Mr 49.001
PSA 52.6
Sequence -
Atom number 24
Bond number 24
Ring number 1
Rotor number 4
Residues number 0
Canonical smiles COC(=O)c1c([2H])c([2H])c(c(c1[2H])[2H])C(=O)OC

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