Base information

Cat. No.
CAS No.77542-27-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C13H18INO
Molecular Weight 331.193
Exact Mass 331.043
XLogP3 -1.0411
Mr 80.224
PSA 17.07
Sequence -
Atom number 34
Bond number 34
Ring number 2
Rotor number 2
Residues number 0
Canonical smiles O=C1CC[N+](CC1)(C)Cc1ccccc1.[I-]

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