Base information

Cat. No.
CAS No.1082040-58-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C9H8N2O3
Molecular Weight 192.171
Exact Mass 192.053
XLogP3 2.30668
Mr 51.437
PSA 78.84
Sequence -
Atom number 22
Bond number 22
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles COc1cc(C#N)c(c(c1)[N+](=O)[O-])C

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