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CAS 603-11-2 manufacturers and suppliers on PharmaCompass

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CAS 603-11-2
Also known as: 603-11-2, Phthalic acid, 3-nitro-, 3-nitro-phthalic acid, 3-nitrobenzene-1,2-dicarboxylic acid, 1,2-benzenedicarboxylic acid, 3-nitro-, Mfcd00007138
Molecular Formula
C8H5NO6
Molecular Weight
211.13  g/mol
InChI Key
KFIRODWJCYBBHY-UHFFFAOYSA-N
FDA UNII
MC7W4GB97C

1 2D Structure

CAS 603-11-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-nitrophthalic acid
2.1.2 InChI
InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
2.1.3 InChI Key
KFIRODWJCYBBHY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
MC7W4GB97C
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 603-11-2

2. Phthalic Acid, 3-nitro-

3. 3-nitro-phthalic Acid

4. 3-nitrobenzene-1,2-dicarboxylic Acid

5. 1,2-benzenedicarboxylic Acid, 3-nitro-

6. Mfcd00007138

7. M-nitrophthalic Acid

8. 3-nitro Phthalic Acid

9. Nsc 3120

10. Mc7w4gb97c

11. Nsc-3120

12. 3-nitrophthalicacid

13. Nitrophthalic Acid

14. Nsc3120

15. 3-nitrophtalic Acid

16. Einecs 210-030-8

17. 3-nitrophthaiic Acid

18. 3-nitro-1,2-benzenedicarboxylic Acid

19. 3- Nitrophthalic Acid

20. Ai3-02074

21. Unii-mc7w4gb97c

22. 3-nitrophthalic Acid, 95%

23. 3-nitrophthalic Acid, 99%

24. Schembl304456

25. Dtxsid9060528

26. Zinc149795

27. Amy18015

28. Bcp10869

29. Str03241

30. 2-carboxy-6-nitrobenzoic Acid Anion

31. Stk397359

32. Akos000119672

33. Ac-10908

34. Bb 0221131

35. Cs-0008519

36. Ft-0616262

37. N0243

38. Af-936/31262028

39. Q1490162

40. W-105264

41. F3098-8760

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 211.13 g/mol
Molecular Formula C8H5NO6
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass211.01168688 g/mol
Monoisotopic Mass211.01168688 g/mol
Topological Polar Surface Area120 Ų
Heavy Atom Count15
Formal Charge0
Complexity296
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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