1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-5-methoxybenzoic acid

2.1.2 InChI

InChI=1S/C8H9NO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)

2.1.3 InChI Key

UMKSAURFQFUULT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=C(C=C1)N)C(=O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 5-methoxyanthranilic Acid

2.2.2 Depositor-Supplied Synonyms

1. 6705-03-9

2. 5-methoxyanthranilic Acid

3. 2-amino-5-methoxybenzoicacid

4. Benzoic Acid, 2-amino-5-methoxy-

5. 2-amino-5-methoxy-benzoic Acid

6. Mfcd00016509

7. 5-methoxy Anthranilic Acid

8. Schembl221141

9. 3-methoxy-6-aminobenzoic Acid

10. Niclosamidepiperazinesalt

11. 2-amino-5-methoxylbenzoic Acid

12. 2-amino-5-methoxy Benzoic Acid

13. Dtxsid50298930

14. 2-amino-5-methoxybenzoic Acid #

15. Chebi:181435

16. Act00261

17. Bcp10331

18. Zinc1715572

19. Nsc126996

20. 2-amino-5-methoxybenzoic Acid, 97%

21. Akos005145853

22. Ac-1669

23. Cs-w009211

24. Nsc-126996

25. Ps-6044

26. Sy014917

27. Db-014019

28. Am20060709

29. Ft-0636243

30. 705a039

31. An-584/43074539

32. Z1816507538

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO₃
Molecular Weight	167.16 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.058243149 g/mol
Monoisotopic Mass	167.058243149 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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

CAS 6705-03-9

CAS 6705-03-9

CHEMISTRY

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