CAS 2374-03-0

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Also known as: 2374-03-0, 4-amino-3-hydroxy benzoic acid, Benzoic acid, 4-amino-3-hydroxy-, Mfcd00017094, 3-hydroxy-4-aminobenzoic acid, Chembl1462

Molecular Formula

C₇H₇NO₃

Molecular Weight

153.14 g/mol

InChI Key

NFPYJDZQOKCYIE-UHFFFAOYSA-N

1 2D Structure

CAS 2374-03-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-3-hydroxybenzoic acid

2.1.2 InChI

InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)

2.1.3 InChI Key

NFPYJDZQOKCYIE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C(=O)O)O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2374-03-0

2. 4-amino-3-hydroxy Benzoic Acid

3. Benzoic Acid, 4-amino-3-hydroxy-

4. Mfcd00017094

5. 3-hydroxy-4-aminobenzoic Acid

6. Chembl1462

7. 2hdr

8. 4-amino-3-hydroxybenzoicacid

9. 3-hydroxy-p-aminobenzoic Acid

10. Schembl180385

11. 3-hydroxy-4-aminobenzoic Acids

12. 3-hydroxy 4-amino Benzoic Acid

13. Dtxsid90178409

14. (4-carboxy-2-hydroxyphenyl)amine

15. Kuc106686n

16. Zinc156556

17. Str04495

18. Bdbm50324681

19. Geo-00141

20. Nsc407243

21. 4-amino-3-hydroxybenzoic Acid, 97%

22. Akos005255334

23. Ac-4479

24. Cs-w002114

25. Nsc 407243

26. Nsc-407243

27. Ps-4562

28. Sy018797

29. Ksc-11-207-17

30. A1194

31. Am20060231

32. Ft-0617496

33. En300-42793

34. 374a030

35. A816876

36. Q-200427

37. Q27454543

38. Z1238477774

39. 4a3

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₇NO₃
Molecular Weight	153.14 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	153.042593085 g/mol
Monoisotopic Mass	153.042593085 g/mol
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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