Base information

Cat. No.
CAS No.203179-02-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H4N2O3
Molecular Weight 176.129
Exact Mass 176.022
XLogP3 1.80218
Mr 45.3665
PSA 86.68
Sequence -
Atom number 17
Bond number 17
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles N#Cc1cc(C=O)ccc1[N+](=O)[O-]

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