3-cyclopentene carboxylic acid

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Also known as: 7686-77-3, Cyclopent-3-ene-1-carboxylic acid, Cyclopent-3-enecarboxylic acid, 3-cyclopentenecarboxylic acid, Mfcd00101764, Ghl.pd_mitscher_leg0.243

Molecular Formula

C₆H₈O₂

Molecular Weight

112.13 g/mol

InChI Key

XVSYDLITVYBCBD-UHFFFAOYSA-N

1 2D Structure

CAS 7686-77-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclopent-3-ene-1-carboxylic acid

2.1.2 InChI

InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2,(H,7,8)

2.1.3 InChI Key

XVSYDLITVYBCBD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C=CCC1C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 7686-77-3

2. Cyclopent-3-ene-1-carboxylic Acid

3. Cyclopent-3-enecarboxylic Acid

4. 3-cyclopentenecarboxylic Acid

5. Mfcd00101764

6. Ghl.pd_mitscher_leg0.243

7. Cyclopent-3-ene Carboxylic Acid

8. Schembl301156

9. 3-cyclopentene Carboxylic Acid

10. Xvsydlitvybcbd-uhfffaoysa-

11. Dtxsid10357491

12. Cyclopenta-3-en-1-carboxylic Acid

13. Zinc396187

14. Act02806

15. 3-cyclopentenecarboxylic Acid, 97%

16. Cyclopent-3-enecarboxylicacid

17. Bbl102952

18. Geo-00884

19. Stl556761

20. Akos005255516

21. Akos025243429

22. Ac-6528

23. Cs-w002373

24. Pb14124

25. Ps-3521

26. Sy003813

27. Db-008996

28. A9737

29. Am20100760

30. C1914

31. Ft-0615572

32. En300-84063

33. 686c773

34. Q-100997

35. F2163-0117

36. Z1258578205

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₆H₈O₂
Molecular Weight	112.13 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	112.052429494 g/mol
Monoisotopic Mass	112.052429494 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	119
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

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