CAS 113020-21-6

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CHEMISTRY

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1 End Use APIs
15 Related Intermediates

Chemistry

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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

CAS 113020-21-6

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 Formula	C₆H₈O₄
Molecular Weight	144.12 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	63.6
Heavy Atom Count	10
Formal Charge	0
Complexity	180
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