6914-76-7

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 27 Related Intermediates

1 Suppliers
1 End Use APIs
27 Related Intermediates

Chemistry

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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

6914-76-7

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 Formula	C₅H₈O₂
Molecular Weight	100.12 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	7
Formal Charge	0
Complexity	103
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