Base information

Cat. No.
CAS No.5437-38-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H7NO4
Molecular Weight 181.145
Exact Mass 181.038
XLogP3 2.1246
Mr 47.1893
PSA 83.12
Sequence -
Atom number 20
Bond number 20
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles [O-][N+](=O)c1c(C)cccc1C(=O)O

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