Base information

Cat. No.
CAS No.133053-76-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C9H8N2O2
Molecular Weight 176.172
Exact Mass 176.059
XLogP3 2.9077
Mr 52.0867
PSA 61.61
Sequence -
Atom number 21
Bond number 22
Ring number 2
Rotor number 1
Residues number 0
Canonical smiles [O-][N+](=O)c1ccc2c(c1)[nH]cc2C

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