Base information

Cat. No.
CAS No.102-96-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H7NO2
Molecular Weight 149.147
Exact Mass 149.048
XLogP3 2.4572
Mr 44.638
PSA 45.82
Sequence -
Atom number 18
Bond number 18
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles [O-][N+](=O)C=Cc1ccccc1

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