Base information

Cat. No.
CAS No.253687-16-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C9H9NO3
Molecular Weight 179.173
Exact Mass 179.058
XLogP3 0.6478
Mr 49.3885
PSA 58.56
Sequence -
Atom number 22
Bond number 23
Ring number 2
Rotor number 1
Residues number 0
Canonical smiles OCc1ccc2c(c1)OCC(=O)N2

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