Bicyclo[4.2.0]octa-1,3,5-trien-7-one
bicyclo[4.2.0]octa-1,3,5-trien-7-one
Molecular Identity
Bicyclo[4.2.0]octa-1,3,5-trien-7-one
bicyclo[4.2.0]octa-1,3,5-trien-7-one
PubChem CID: 137953
2D Structure
Properties
C8H6O
Molecular Formula
118.13
Molecular Weight
g/mol
118.0419
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
17.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
140
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Bicyclo[4.2.0]octa-1,3,5-trien-7-oneBenzocyclobutenone3469-06-5BenzocyclobutanoneGZC3D3H6EBNSC-1465721-OXOCYCLOBUTABENZENEBicyclo(4.2.0)octa-1,3,5-trien-7-oneDTXSID90188240NSC 146572RefChem:565222DTXCID20110731828-292-2Benzocyclobuten-1(2H)-oneMFCD01652340
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bicyclo[4.2.0]octa-1,3,5-trien-7-one
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