Base information

Cat. No.
CAS No.119389-05-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C16H8O3
Molecular Weight 248.233
Exact Mass 248.047
XLogP3 2.397
Mr 68.61
PSA 43.37
Sequence -
Atom number 27
Bond number 29
Ring number 3
Rotor number 0
Residues number 0
Canonical smiles O=C1OC(=O)c2c1cc(C#Cc1ccccc1)cc2

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