Base information

Cat. No.
CAS No.19355-04-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H6N2O4
Molecular Weight 170.123
Exact Mass 170.033
XLogP3 1.5551
Mr 42.918
PSA 80.51
Sequence -
Atom number 18
Bond number 18
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles COc1c[n+]([O-])ccc1[N+](=O)[O-]

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