Base information

Cat. No.
CAS No.4042-30-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C16H16O3
Molecular Weight 256.296
Exact Mass 256.11
XLogP3 3.458
Mr 72.5428
PSA 54.37
Sequence -
Atom number 35
Bond number 37
Ring number 3
Rotor number 1
Residues number 0
Canonical smiles OC1=C(C2CCCCC2)C(=O)c2c(C1=O)cccc2

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