Base information

Cat. No.
CAS No.84594-78-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H8N2O3
Molecular Weight 180.161
Exact Mass 180.053
XLogP3 2.2163
Mr 49.0124
PSA 81.07
Sequence -
Atom number 21
Bond number 22
Ring number 2
Rotor number 1
Residues number 0
Canonical smiles [O-][N+](=O)c1cc2OCCc2cc1N

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