CAS 84627-04-3

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Also known as: 617-597-4, Fendizoic acid, 84627-04-3, 2-(6-hydroxy-[1,1'-biphenyl]-3-carbonyl)benzoic acid, Fendizoate, 2-(6-hydroxy-biphenyl-3-carbonyl)-benzoic acid

Molecular Formula

C₂₀H₁₄O₄

Molecular Weight

318.3 g/mol

InChI Key

PKHPZNKXOBWFCX-UHFFFAOYSA-N

1 2D Structure

CAS 84627-04-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-hydroxy-3-phenylbenzoyl)benzoic acid

2.1.2 InChI

InChI=1S/C20H14O4/c21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1-12,21H,(H,23,24)

2.1.3 InChI Key

PKHPZNKXOBWFCX-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 617-597-4

2. Fendizoic Acid

3. 84627-04-3

4. 2-(6-hydroxy-[1,1'-biphenyl]-3-carbonyl)benzoic Acid

5. Fendizoate

6. 2-(6-hydroxy-biphenyl-3-carbonyl)-benzoic Acid

7. 432106-71-3

8. Fendizoato

9. 2-{6-hydroxy-[1,1'-biphenyl]-3-carbonyl}benzoic Acid

10. Benzoic Acid, 2-[(6-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]-

11. Schembl9455577

12. Chembl2104248

13. Dtxsid20276528

14. Akos015855850

15. Ac-37175

16. Db-090874

17. 2-(4'-hydroxy-3'-phenylbenzoyl)benzoic Acid

18. E85381

19. En300-7435037

20. 2-[(2'-hydroxy-5'-bi-phenylyl)carbonyl]benzoic Acid

21. 2-[(6-hydroxy-biphenyl-3-yl)carbonyl]-benzoic Acid

22. 2-(6-hydroxy-[1,1''-biphenyl]-3-carbonyl)benzoicacid

23. 2-(6-hydroxy-[1,1'-biphenyl]-3-carbonyl)benzoicacid

24. Z2681890932

25. 2-[(6-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]benzoic Acid; O-[(6-hydroxy-3-biphenylyl)carbonyl]benzoic Acid; 2-(3'-phenyl-4'-hydroxybenzoyl)benzoic Acid

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₄O₄
Molecular Weight	318.3 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	74.6
Heavy Atom Count	24
Formal Charge	0
Complexity	455
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