Base information

Cat. No.
CAS No.79637-74-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C13H18O2
Molecular Weight 206.281
Exact Mass 206.131
XLogP3 2.6995
Mr 59.5608
PSA 37.3
Sequence -
Atom number 33
Bond number 35
Ring number 3
Rotor number 2
Residues number 0
Canonical smiles OC(=O)/C=C/C1CCC2C1C1CCC2C1

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