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2D Structure
Also known as: Bicyclo[4.2.0]octa-1,3,5-trien-7-one, Benzocyclobutenone, 3469-06-5, Gzc3d3h6eb, Nsc-146572, 1-oxocyclobutabenzene
Molecular Formula
C8H6O
Molecular Weight
118.13  g/mol
InChI Key
XOGFXHMYHKGOGP-UHFFFAOYSA-N
FDA UNII
GZC3D3H6EB

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
bicyclo[4.2.0]octa-1,3,5-trien-7-one
2.1.2 InChI
InChI=1S/C8H6O/c9-8-5-6-3-1-2-4-7(6)8/h1-4H,5H2
2.1.3 InChI Key
XOGFXHMYHKGOGP-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
GZC3D3H6EB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Bicyclo[4.2.0]octa-1,3,5-trien-7-one

2. Benzocyclobutenone

3. 3469-06-5

4. Gzc3d3h6eb

5. Nsc-146572

6. 1-oxocyclobutabenzene

7. Bicyclo(4.2.0)octa-1,3,5-trien-7-one

8. Dtxsid90188240

9. Nsc 146572

10. Refchem:565222

11. Dtxcid20110731

12. 828-292-2

13. Benzocyclobuten-1(2h)-one

14. Mfcd01652340

15. Ac-101

16. Nsc146572

17. Unii-gzc3d3h6eb

18. Schembl569873

19. Schembl22367713

20. Schembl31070117

21. Akos004907543

22. Cs-w022591

23. Ds-1267

24. Bicyclo[4.2.0]octa-1,5-trien-7-one

25. Bicyclo[4.2.0]octa-135-trien-7-one

26. Sy031738

27. 7-oxobicyclo[4.2.0]octa-1,3,5-triene

28. En300-117794

29. F079402

30. Bicyclo[4.2.0]octa-1 Pound Not3 Pound Not5-trien-7-one

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 118.13 g/mol
Molecular Formula C8H6O
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area17.1
Heavy Atom Count9
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1