Octanex Labs | CAS 59382-59-1 | Related Intermediates | Manufacturers & Suppliers

CAS 59382-59-1

Chemistry, 3 End Use API, 22 Related Intermediates

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Also known as: 59382-59-1, Benzoic acid, 2-methyl-3-nitro-, methyl ester, Methyl 3-nitro-o-toluate, 2-methyl-3-nitrobenzoic acid methyl ester, Mfcd00082564, Methyl2-methyl-3-nitrobenzoate

Molecular Formula

C₉H₉NO₄

Molecular Weight

195.17 g/mol

InChI Key

CRZGFIMLHZTLGT-UHFFFAOYSA-N

1 2D Structure

CAS 59382-59-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-methyl-3-nitrobenzoate

2.1.2 InChI

InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3

2.1.3 InChI Key

CRZGFIMLHZTLGT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 59382-59-1

2. Benzoic Acid, 2-methyl-3-nitro-, Methyl Ester

3. Methyl 3-nitro-o-toluate

4. 2-methyl-3-nitrobenzoic Acid Methyl Ester

5. Mfcd00082564

6. Methyl2-methyl-3-nitrobenzoate

7. Schembl307312

8. Methyl3-nitro-2-methylbenzoate

9. Methyl 3-nitro-2-methylbenzoate

10. Dtxsid30345017

11. 2-methyl-3-(nitromethyl)benzoate

12. Act00897

13. Albb-023475

14. Bcp21848

15. Cs-b0152

16. Methyl 2-methyl-3-nitrobenzoate #

17. Str08156

18. Zinc2149906

19. 3-nitro-o-toluic Acid Methyl Ester

20. Ab9754

21. Akos003390080

22. Ab03098

23. Ac-4829

24. Methyl 2-methyl-3-nitrobenzoate, 97%

25. Am804105

26. Bp-10734

27. Sy004356

28. 2-methyl-3-nitro-benzoic Acid Methyl Ester

29. 2-methyl-3-nitrobenzoic Acid, Methyl Ester

30. Ft-0628461

31. M2144

32. 10b-068

33. J-522044

34. Methyl 3-nitro-o-toluate Pound>>2-methyl-3-nitrobenzoic Acid Methyl Ester

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO₄
Molecular Weight	195.17 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.05315777 g/mol
Monoisotopic Mass	195.05315777 g/mol
Topological Polar Surface Area	72.1 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

827026-45-9

End Use API

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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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