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Cyclobutane Carboxaldehyde manufacturers and suppliers on PharmaCompass

PharmaCompass
Cyclobutane Carboxaldehyde
Also known as: Cyclobutanecarbaldehyde, 2987-17-9, Chembl18475, Mfcd03789631, Cyclobutancarbaldehyd, Cyclobutanecarboaldehyde
Molecular Formula
C5H8O
Molecular Weight
84.12  g/mol
InChI Key
INVYSLWXPIEDIQ-UHFFFAOYSA-N

1 2D Structure

Cyclobutane Carboxaldehyde

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclobutanecarbaldehyde
2.1.2 InChI
InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2
2.1.3 InChI Key
INVYSLWXPIEDIQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(C1)C=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Cyclobutanecarbaldehyde

2. 2987-17-9

3. Chembl18475

4. Mfcd03789631

5. Cyclobutancarbaldehyd

6. Cyclobutanecarboaldehyde

7. 1-cyclobutane-aldehyde

8. Cyclobutane-carbaldehyde

9. 2-cyclobutanecarbaldehyde

10. Cyclobutane Carboxaldehyde

11. Dtxsid70498011

12. Bcp28808

13. Cs-d0314

14. Zinc2511472

15. Bbl100220

16. Bdbm50028845

17. Cyclobutanecarboxaldehyde, Aldrichcpr

18. Stl553793

19. Akos012298721

20. Am90197

21. Sb85395

22. Ps-11985

23. Sy019700

24. Ft-0651605

25. En300-71825

26. 987c179

27. A820088

28. J-520133

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 84.12 g/mol
Molecular Formula C5H8O
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass84.057514874 g/mol
Monoisotopic Mass84.057514874 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity55
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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