CAS 598-10-7

Chemistry, 2 End Use API, 10 Related Intermediates

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Also known as: 598-10-7, 1,1-cyclopropanedicarboxylic acid, 1,1-cyclopropanedicarboxylate, Cyclopropane-1,1-dicarboxylicacid, Mfcd00013727, Nsc626865

Molecular Formula

C₅H₆O₄

Molecular Weight

130.10 g/mol

InChI Key

FDKLLWKMYAMLIF-UHFFFAOYSA-N

1 2D Structure

CAS 598-10-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclopropane-1,1-dicarboxylic acid

2.1.2 InChI

InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)

2.1.3 InChI Key

FDKLLWKMYAMLIF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1(C(=O)O)C(=O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1,1-cyclopropanedicarboxylate

2. Cprdca

2.2.2 Depositor-Supplied Synonyms

1. 598-10-7

2. 1,1-cyclopropanedicarboxylic Acid

3. 1,1-cyclopropanedicarboxylate

4. Cyclopropane-1,1-dicarboxylicacid

5. Mfcd00013727

6. Nsc626865

7. Cyclopropanedicarboxylic Acid

8. Vinaconic Acid

9. Cyclopropane, 3

10. Vinyl-malonic Acid

11. 9ty

12. Ethylenemalonic Acid

13. Einecs 209-917-2

14. Cycloprpopane-1,1-dicarboxylic Acid

15. Schembl106415

16. Propene-3,3-dicarboxylic Acid

17. Chembl1993862

18. Bdbm82142

19. Dtxsid20208526

20. Trans-cyclopropanedicarboxylic Acid

21. Zinc388470

22. Cyclopropane 1,1-dicarboxylic Acid

23. Act09890

24. Bcp26949

25. Akos009158920

26. Ac-1893

27. Cs-w002094

28. Nsc-626865

29. Ps-5731

30. Nci60_008490

31. Sy014841

32. Cyclopropane-1,1-dicarboxylic Acid, 97%

33. Db-012386

34. Am20100460

35. Ft-0606081

36. 598c107

37. W-105298

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₆O₄
Molecular Weight	130.10 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	130.02660867 g/mol
Monoisotopic Mass	130.02660867 g/mol
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	152
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