1,1-Cyclobutane Dicarboxylic Acid manufacturers and suppliers on PharmaCompass

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Also known as: 5445-51-2, Cyclobutane-1,1-dicarboxylic acid, H2cbdca, Cyclobutanedicarboxylic acid, 1,1-cyclobutanedicarboxylicacid, Pv866vzu2u
Molecular Formula
C6H8O4
Molecular Weight
144.12  g/mol
InChI Key
CCQPAEQGAVNNIA-UHFFFAOYSA-N
FDA UNII
PV866VZU2U

1,1-Cyclobutane Dicarboxylic Acid
1 2D Structure

1,1-Cyclobutane Dicarboxylic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclobutane-1,1-dicarboxylic acid
2.1.2 InChI
InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
2.1.3 InChI Key
CCQPAEQGAVNNIA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(C1)(C(=O)O)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
PV866VZU2U
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5445-51-2

2. Cyclobutane-1,1-dicarboxylic Acid

3. H2cbdca

4. Cyclobutanedicarboxylic Acid

5. 1,1-cyclobutanedicarboxylicacid

6. Pv866vzu2u

7. Chebi:35691

8. Nsc-22073

9. Carboplatin Impurity B (cyclobutane-1,1-dicarboxylic Acid)

10. 1,1-cyclobutanedicarboxylate

11. Smr000857344

12. 1,1-dicarboxycyclobutane

13. Einecs 226-651-2

14. Mfcd00001325

15. Nsc 22073

16. Unii-pv866vzu2u

17. Mls001336051

18. Mls001336052

19. Schembl127199

20. Chembl1162546

21. Dtxsid2063892

22. Amcb00081

23. Cyclobutane-1,1-dicarboxylicacid

24. 1,1 Cyclobutanedicarboxylic Acid

25. Hms2233c03

26. Hms3370k21

27. Zinc404340

28. Act05764

29. Bcp22658

30. Cs-d1152

31. Nsc22073

32. Stk328153

33. Akos000546081

34. Am62799

35. Pb43025

36. Ncgc00247020-01

37. 1-carboxycyclobutanecarboxylic Acid

38. Ac-27694

39. Cyclobutane-1,1-dicarboxylic Acid, 99%

40. Ts-01877

41. Db-015897

42. C0769

43. Ft-0606076

44. C-9000

45. 445c512

46. Q27116567

47. Z1691545032

48. Zps

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 144.12 g/mol
Molecular Formula C6H8O4
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass144.04225873 g/mol
Monoisotopic Mass144.04225873 g/mol
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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