Base information

Cat. No.
CAS No.83-66-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C12H16N2O5
Molecular Weight 268.266
Exact Mass 268.106
XLogP3 4.1639
Mr 74.814
PSA 100.87
Sequence -
Atom number 35
Bond number 35
Ring number 1
Rotor number 4
Residues number 0
Canonical smiles COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-]

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