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Also known as: 99199-60-7, 6-fluorochroman-2-carboxylic acid, 129050-20-0, 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-2h-benzopyran-2-carboxylic acid, Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid
Molecular Formula
C10H9FO3
Molecular Weight
196.17  g/mol
InChI Key
ZNJANLXCXMVFFI-UHFFFAOYSA-N

CAS 99199-60-7
1 2D Structure

CAS 99199-60-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid
2.1.2 InChI
InChI=1S/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)
2.1.3 InChI Key
ZNJANLXCXMVFFI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(C=CC(=C2)F)OC1C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 99199-60-7

2. 6-fluorochroman-2-carboxylic Acid

3. 129050-20-0

4. 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

5. 6-fluoro-3,4-dihydro-2h-benzopyran-2-carboxylic Acid

6. Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

7. 6-fluoro-3,4-dihydro-2h-chromene-2-carboxylic Acid

8. 2h-1-benzopyran-2-carboxylic Acid, 6-fluoro-3,4-dihydro-

9. Fluorochroman-2-carboxylic Acid

10. Ec 619-405-4

11. (s)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

12. Schembl908153

13. (s)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2alpha-carboxylic Acid

14. 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxyloc Acid

15. Schembl13925775

16. Dtxsid501209426

17. Bcp12984

18. Bcp20239

19. Bbl103477

20. Mfcd07778357

21. Stl557287

22. 6-fluoroisochromane-1-carboxylic Acid

23. Akos006285655

24. Ab42419

25. Ac-1224

26. Ac-8777

27. Cs-w018978

28. Fs-2594

29. Sb47826

30. Db-002154

31. Am20050035

32. F1086

33. Ft-0652129

34. Ft-0655502

35. 199f607

36. A805898

37. A845979

38. 6-fluoro-3,4-dihydro-2h-chroman-2-carboxylic Acid

39. 6-fluoro-3,4-dihydro-2h-chromen-2-carboxylic Acid

40. W-204184

41. 6-fluoro-3,4-dihydro-2h-benzopyran-2-carboxylic Acid;6-fluorochroman-2-carboxylic Acid

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 196.17 g/mol
Molecular Formula C10H9FO3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass196.05357231 g/mol
Monoisotopic Mass196.05357231 g/mol
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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