4Methoxy-3-nitrobenzoic acid

Chemistry

Chemistry

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 89-41-8, 3-nitro-p-anisic acid, Benzoic acid, 4-methoxy-3-nitro-, 3-nitro-4-methoxybenzoic acid, P-anisic acid, 3-nitro-, Mfcd00007256

Molecular Formula

C₈H₇NO₅

Molecular Weight

197.14 g/mol

InChI Key

ANXBDAFDZSXOPQ-UHFFFAOYSA-N

FDA UNII

DD71O31OLZ

1 2D Structure

4Methoxy-3-nitrobenzoic acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methoxy-3-nitrobenzoic acid

2.1.2 InChI

InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)

2.1.3 InChI Key

ANXBDAFDZSXOPQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

DD71O31OLZ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 89-41-8

2. 3-nitro-p-anisic Acid

3. Benzoic Acid, 4-methoxy-3-nitro-

4. 3-nitro-4-methoxybenzoic Acid

5. P-anisic Acid, 3-nitro-

6. Mfcd00007256

7. Dd71o31olz

8. Nsc-29085

9. Unii-dd71o31olz

10. 4-methoxy-3-nitrobenzoicacid

11. 4-methoxy-3-nitro Benzoic Acid

12. 4-methoxy-3-nitro-benzoic Acid

13. Nsc29085

14. Einecs 201-906-0

15. Nsc 29085

16. Ec 201-906-0

17. Oprea1_370577

18. 4methoxy-3-nitrobenzoic Acid

19. Schembl176357

20. 3-nitro4-methoxy Benzoic Acid

21. 3-nitro-4-methoxy Benzoic Acid

22. Dtxsid0058988

23. Anxbdafdzsxopq-uhfffaoysa-

24. Zinc154837

25. Bbl008034

26. Stk299392

27. 4-methoxy-3-nitrobenzoic Acid, 98%

28. Akos000113165

29. Cs-w015681

30. As-12855

31. Sy031609

32. Db-001299

33. Am20060935

34. Ft-0618894

35. M1092

36. D70645

37. Ak-968/40879417

38. W-100374

39. Q27276338

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇NO₅
Molecular Weight	197.14 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	197.03242232 g/mol
Monoisotopic Mass	197.03242232 g/mol
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	236
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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CAS Number

89-41-8

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About the Company

MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...

MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).

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