Base information

Cat. No.
CAS No.5333-27-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C9H9NO3
Molecular Weight 179.173
Exact Mass 179.058
XLogP3 2.629
Mr 50.4245
PSA 62.89
Sequence -
Atom number 22
Bond number 22
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles [O-][N+](=O)c1cc(ccc1C)C(=O)C

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