Base information

Cat. No.
CAS No.108-79-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H8N2O
Molecular Weight 124.141
Exact Mass 124.064
XLogP3 0.3867
Mr 34.7897
PSA 45.75
Sequence -
Atom number 17
Bond number 17
Ring number 1
Rotor number 0
Residues number 0
Canonical smiles Cc1cc(C)[nH]c(=O)n1

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