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

PharmaCompass
1,1-Cyclobutane Dicarboxylic Acid
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 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
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