CAS 2486-75-1

Chemistry

Chemistry

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Also known as: 2486-75-1, 4-amino-2-methyl-benzoic acid, Benzoic acid, 4-amino-2-methyl-, 2-methyl-4-aminobenzoic acid, 2-methyl-4-amino-benzoic acid, 4-amino-2-methyl benzoic acid

Molecular Formula

C₈H₉NO₂

Molecular Weight

151.16 g/mol

InChI Key

XRSQZFJLEPBPOZ-UHFFFAOYSA-N

1 2D Structure

CAS 2486-75-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-2-methylbenzoic acid

2.1.2 InChI

InChI=1S/C8H9NO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)

2.1.3 InChI Key

XRSQZFJLEPBPOZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)N)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2486-75-1

2. 4-amino-2-methyl-benzoic Acid

3. Benzoic Acid, 4-amino-2-methyl-

4. 2-methyl-4-aminobenzoic Acid

5. 2-methyl-4-amino-benzoic Acid

6. 4-amino-2-methyl Benzoic Acid

7. Mfcd06656133

8. 4-amino-o-toluic Acid

9. Nsc49299

10. Methyl-p-aminobenzoesaure

11. Methyl-4-amino Benzoic Acid

12. Schembl99201

13. Chembl3278339

14. Dtxsid80287155

15. Act07361

16. Bcp24561

17. Zinc1681308

18. Bbl100078

19. Nsc 49299

20. Nsc-49299

21. Stl220794

22. 4-amino-2-methylbenzoic Acid, 95%

23. Akos005145866

24. Ac-2912

25. Cs-w003296

26. Sb36168

27. Sy003329

28. Ts-01987

29. Db-011266

30. Am20060573

31. Ft-0647670

32. En300-58860

33. 486a751

34. Ae-562/43286946

35. J-514337

36. Z1255523289

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO₂
Molecular Weight	151.16 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.063328530 g/mol
Monoisotopic Mass	151.063328530 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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 2486-75-1

CAS 2486-75-1

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