CAS 376592-93-7

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BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 14 Related Intermediates

3 Suppliers
3 End Use APIs
14 Related Intermediates

Chemistry

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Also known as: 376592-93-7, 3'-amino-2'-hydroxybiphenyl-3-carboxylic acid, 3-(3-amino-2-hydroxyphenyl)benzoic acid, 3''-amino-2''-hydroxy-biphenyl-3-carboxylic acid, 3'-amino-2'-hydroxy-biphenyl-3-carboxylic acid, 2gs5685mp9

Molecular Formula

C₁₃H₁₁NO₃

Molecular Weight

229.23 g/mol

InChI Key

ZXLYSSHNDUXXIN-UHFFFAOYSA-N

FDA UNII

2GS5685MP9

1 2D Structure

CAS 376592-93-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(3-amino-2-hydroxyphenyl)benzoic acid

2.1.2 InChI

InChI=1S/C13H11NO3/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17/h1-7,15H,14H2,(H,16,17)

2.1.3 InChI Key

ZXLYSSHNDUXXIN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)N)O

2.2 Other Identifiers

2.2.1 UNII

2GS5685MP9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 376592-93-7

2. 3'-amino-2'-hydroxybiphenyl-3-carboxylic Acid

3. 3-(3-amino-2-hydroxyphenyl)benzoic Acid

4. 3''-amino-2''-hydroxy-biphenyl-3-carboxylic Acid

5. 3'-amino-2'-hydroxy-biphenyl-3-carboxylic Acid

6. 2gs5685mp9

7. Mfcd10001467

8. 3'-amino-2'-hydroxy-3-biphenylcarboxylic Acid

9. 3'-amino-2'-hydroxy-[1,1']biphenyl-3-carboxylic Acid

10. 3'-amino-2'-hydroxy[1,1'-biphenyl]-3-carboxylic Acid

11. 3'-amino-2'-hydroxy(1,1'-biphenyl)-3-carboxylic Acid

12. [1,1'-biphenyl]-3-carboxylicacid, 3'-amino-2'-hydroxy-

13. Schembl407806

14. Unii-2gs5685mp9

15. Dtxsid10467509

16. [1,1'-biphenyl]-3-carboxylic Acid, 3'-amino-2'-hydroxy-

17. Amy30032

18. Bcp08246

19. Cs-b0772

20. Zinc40433876

21. Akos015951087

22. Ds-5044

23. Ac-24713

24. Sy053196

25. Ft-0689791

26. 3-amino-2-hydroxybiphenyl-3'-carboxylic Acid

27. 592a937

28. A874041

29. 3'-amino-2'-hydroxy-[1,1'-biphenyl]-3-carboxylicacid

30. 3 Inverted Exclamation Mark -amino-2 Inverted Exclamation Mark -hydroxybiphenyl-3-carboxylic Acid

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₁NO₃
Molecular Weight	229.23 g/mol
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	229.07389321 g/mol
Monoisotopic Mass	229.07389321 g/mol
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	282
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