23761-23-1

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1 Suppliers, 1 End Use APIs, 3 Related Intermediates

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1 End Use APIs
3 Related Intermediates

Chemistry

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Also known as: 23761-23-1, 3-oxo-cyclobutanecarboxylic acid, 3-oxocyclobutane-1-carboxylic acid, Cyclobutanecarboxylic acid, 3-oxo-, C5h6o3, Mfcd00100900

Molecular Formula

C₅H₆O₃

Molecular Weight

114.10 g/mol

InChI Key

IENOFRJPUPTEMI-UHFFFAOYSA-N

1 2D Structure

23761-23-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-oxocyclobutane-1-carboxylic acid

2.1.2 InChI

InChI=1S/C5H6O3/c6-4-1-3(2-4)5(7)8/h3H,1-2H2,(H,7,8)

2.1.3 InChI Key

IENOFRJPUPTEMI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(CC1=O)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 23761-23-1

2. 3-oxo-cyclobutanecarboxylic Acid

3. 3-oxocyclobutane-1-carboxylic Acid

4. Cyclobutanecarboxylic Acid, 3-oxo-

5. C5h6o3

6. Mfcd00100900

7. 3-oxo-cyclobutanecarboxylicacid

8. 3-oxocyclobutane-1-carboxylic Acid;3-oxocyclobutane-1-carboxylic Acid

9. 3-oxocyclobutanecarboxylicacid

10. Cyclobutanone-3-carboxylic Acid

11. (3-oxocyclobutyl)carboxylic Acid

12. 3-oxocylobutanecarboxylic Acid

13. Schembl301495

14. 3-oxocyclobutane Carboxylic Acid

15. Dtxsid20406767

16. Ienofrjpuptemi-uhfffaoysa-n

17. 3-oxo-1-cyclobutanecarboxylic Acid

18. (3-oxo-cyclobutyl)-carboxylic Acid

19. Bcp01232

20. Cs-d1519

21. 3-oxo-1 Cyclobutane Carboxylic Acid

22. 3-oxo-1-cyclobutane Carboxylic Acid

23. 3-oxo-cyclobutane-1-carboxylic Acid

24. Ac-290

25. Bbl011270

26. Stk939717

27. Akos000117954

28. Pb20916

29. Ps-5042

30. Bp-11703

31. Sy008366

32. 3-oxocyclobutanecarboxylic Acid, Aldrichcpr

33. A4958

34. Am20070608

35. Ft-0600287

36. O0392

37. En300-27586

38. Q-103135

39. F2124-0041

40. 3-oxo-cyclobutanecarboxylic Acid; 3-oxocyclobutane-1-carboxylic Acid

2.3 Create Date

2005-09-17

3 Chemical and Physical Properties

Molecular Formula	C₅H₆O₃
Molecular Weight	114.10 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	54.4
Heavy Atom Count	8
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1