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Technical details about CAS 113020-21-6, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 113020-21-6, 1,1-cyclopropanedicarboxylic acid monomethyl ester, 1-(methoxycarbonyl)cyclopropane-1-carboxylic acid, Cyclopropane-1,1-dicarboxylic acid, methyl ester, 1-methoxycarbonylcyclopropane-1-carboxylic acid, Cyclopropane-1,1-dicarboxylic acid methyl ester
Molecular Formula
C6H8O4
Molecular Weight
144.12  g/mol
InChI Key
IZYOHLOUZVEIOS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methoxycarbonylcyclopropane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)
2.1.3 InChI Key
IZYOHLOUZVEIOS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1(CC1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 113020-21-6

2. 1,1-cyclopropanedicarboxylic Acid Monomethyl Ester

3. 1-(methoxycarbonyl)cyclopropane-1-carboxylic Acid

4. Cyclopropane-1,1-dicarboxylic Acid, Methyl Ester

5. 1-methoxycarbonylcyclopropane-1-carboxylic Acid

6. Cyclopropane-1,1-dicarboxylic Acid Methyl Ester

7. Mfcd06800496

8. 1-methoxycarbonylcyclopropanecarboxylic Acid

9. Cyclopropane-1,1-dicarboxylic Acid Monomethyl Ester

10. Cyclopropane-1,1-dicarboxylic Acid Mono Methyl Ester

11. 1-(methoxycarbonyl)cyclopropanecarboxylicacid

12. Schembl71320

13. Amy3787

14. Dtxsid90551394

15. Izyohlouzveios-uhfffaoysa-n

16. Cs-m3308

17. Akos005255350

18. Pb39625

19. Ac-29774

20. As-19766

21. Sy002110

22. 1-methoxycarbonylcyclopropane Carboxylic Acid

23. Ft-0677436

24. 1-(methoxycarbonyl)cyclopropane Carboxylic Acid

25. En300-138787

26. F11580

27. 1,1-cyclopropane Dicarboxylic Acid-1-methyl Ester

28. 1-[(methyloxy)carbonyl]cyclopropanecarboxylic Acid

29. Cyclopropane-1,1-dicarboxylic Acid Monomethylester

30. J-520186

31. Z1201623872

32. 1-(methoxycarbonyl)cyclopropanecarboxylic Acid, Aldrichcpr

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 144.12 g/mol
Molecular Formula C6H8O4
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area63.6
Heavy Atom Count10
Formal Charge0
Complexity180
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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