CAS 89-01-0

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Also known as: Pyrazine-2,3-dicarboxylic acid, 89-01-0, 2,3-dicarboxypyrazine, Pyrazine-2,3-dicarboxylate, 2,3-pyrazine dicarboxylic acid, Mfcd00006131

Molecular Formula

C₆H₄N₂O₄

Molecular Weight

168.11 g/mol

InChI Key

ZUCRGHABDDWQPY-UHFFFAOYSA-N

FDA UNII

QNN35WOF29

1 2D Structure

CAS 89-01-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyrazine-2,3-dicarboxylic acid

2.1.2 InChI

InChI=1S/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)

2.1.3 InChI Key

ZUCRGHABDDWQPY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=C(C(=N1)C(=O)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

QNN35WOF29

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Pyrazine-2,3-dicarboxylic Acid

2. 89-01-0

3. 2,3-dicarboxypyrazine

4. Pyrazine-2,3-dicarboxylate

5. 2,3-pyrazine Dicarboxylic Acid

6. Mfcd00006131

7. Qnn35wof29

8. Nsc1908

9. Nsc-1908

10. 2,3-pyrazinedcarboxylicacid

11. 2,3-pyrazinedicarboxylicacid

12. Nsc 1908

13. Einecs 201-875-3

14. Unii-qnn35wof29

15. Brn 0147982

16. Maybridge1_001780

17. Schembl69939

18. 5-25-05-00383 (beilstein Handbook Reference)

19. Pyrazine-2,3-dicarboxylicacid

20. Pyrazine-2,3-dicaroxylic Acid

21. 2,3-pyrazine-dicarboxylic Acid

22. Pyrazine 2,3-dicarboxylic Acid

23. Chembl2000672

24. Hms546i20

25. Pyrazine-2,3- Dicarboxylic Acid

26. Dtxsid70237467

27. Str06323

28. Zinc3860696

29. Am1214

30. Bbl010075

31. Btb 07953

32. Ccg-45753

33. Stk711154

34. 2,3-pyrazinedicarboxylic Acid, 97%

35. Akos000121437

36. Ac-1922

37. Cs-w017821

38. Ps-8732

39. Ncgc00336204-01

40. Nci60_001592

41. Sy008112

42. 2,3-pyrazinedicarboxylic Acid [mi]

43. Db-025266

44. Ft-0609763

45. P0545

46. P-8100

47. P19771

48. Ab01141154-03

49. J-511414

50. Sr-01000635503-1

51. Q27287370

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄N₂O₄
Molecular Weight	168.11 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	168.01710661 g/mol
Monoisotopic Mass	168.01710661 g/mol
Topological Polar Surface Area	100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	184
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

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