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2D Structure
Also known as: 1-methylcyclopropane-1-carboxylic acid, 6914-76-7, 1-methyl-cyclopropanecarboxylic acid, Cyclopropanecarboxylic acid, 1-methyl-, Mfcd00001290, Chembl4516837
Molecular Formula
C5H8O2
Molecular Weight
100.12  g/mol
InChI Key
DIZKLZKLNKQFGB-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methylcyclopropane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
2.1.3 InChI Key
DIZKLZKLNKQFGB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(CC1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1-methylcyclopropane-1-carboxylic Acid

2. 6914-76-7

3. 1-methyl-cyclopropanecarboxylic Acid

4. Cyclopropanecarboxylic Acid, 1-methyl-

5. Mfcd00001290

6. Chembl4516837

7. Einecs 230-020-7

8. 1-methylcyclopropane-1-carboxylicacid

9. 1-methylcyclopropanoic Acid

10. Schembl113962

11. Gtpl6500

12. Dizklzklnkqfgb-uhfffaoysa-

13. Dtxsid50219201

14. Methyl-cyclopropanecarboxylic Acid

15. 1-methylcyclopropyl Carboxylic Acid

16. 9(10h)-acridinone, 2-methoxy-

17. 1-methylcyclo-propanecarboxylic Acid

18. Bcp16042

19. Str09934

20. Cyclopropanecarboxylicacid,1-methyl-

21. 1-methyl-cyclopropane-carboxylic Acid

22. Bdbm50527497

23. 1-methyl Cyclopropane Carboxylic Acid

24. Akos005217440

25. 1-methyl-1-cyclopropyl Carboxylic Acid

26. Ac-5063

27. Cs-w000087

28. Ps-9328

29. Sb11133

30. 1-methyl-cyclopropane-1-carboxylic Acid

31. 1-methylcyclopropanecarboxylic Acid, 98%

32. Am804235

33. Pd051055

34. Sy003983

35. Ft-0608081

36. M0885

37. En300-78700

38. A25124

39. J-504995

40. Q27070809

41. Z1205493633

42. Inchi=1/c5h8o2/c1-5(2-3-5)4(6)7/h2-3h2,1h3,(h,6,7)

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 100.12 g/mol
Molecular Formula C5H8O2
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count7
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1