Base information

Cat. No.
CAS No.80789-75-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C13H16O2
Molecular Weight 204.265
Exact Mass 204.115
XLogP3 2.8914
Mr 59.9498
PSA 37.3
Sequence -
Atom number 31
Bond number 32
Ring number 2
Rotor number 2
Residues number 0
Canonical smiles OC(=O)C1(CCCC1)c1ccc(cc1)C

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