Base information

Cat. No.
CAS No.84594-95-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C13H11NO4
Molecular Weight 245.231
Exact Mass 245.069
XLogP3 3.9189
Mr 68.272
PSA 64.28
Sequence -
Atom number 29
Bond number 30
Ring number 2
Rotor number 4
Residues number 0
Canonical smiles COc1ccc(c(c1)[N+](=O)[O-])Oc1ccccc1

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