Base information

Cat. No.
CAS No.40153-45-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C12H14N2O3
Molecular Weight 234.251
Exact Mass 234.1
XLogP3 3.0282
Mr 67.0087
PSA 74.92
Sequence -
Atom number 31
Bond number 32
Ring number 2
Rotor number 3
Residues number 0
Canonical smiles CC(=O)Nc1ccc(c2c1CCCC2)[N+](=O)[O-]

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