2H -Pyran-2-One

Synopsis, Chemistry

ANALYTICAL SOLUTION(s)

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Also known as: Alpha-pyrone, 504-31-4, Pyran-2-one, Pyranone, 2-pyranone, 2-pyrone

Molecular Formula

C₅H₄O₂

Molecular Weight

96.08 g/mol

InChI Key

ZPSJGADGUYYRKE-UHFFFAOYSA-N

FDA UNII

8WW45I202V

-pyrone is a natural product found in Kerria japonica, Sanguisorba canadensis, and other organisms with data available.

1 2D Structure

2H -Pyran-2-One

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyran-2-one

2.1.2 InChI

InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H

2.1.3 InChI Key

ZPSJGADGUYYRKE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=O)OC=C1

2.2 Other Identifiers

2.2.1 UNII

8WW45I202V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-pyrone

2.3.2 Depositor-Supplied Synonyms

1. Alpha-pyrone

2. 504-31-4

3. Pyran-2-one

4. Pyranone

5. 2-pyranone

6. 2-pyrone

7. Coumalin

8. Pyrone

9. A-pyrone

10. .alpha.-pyrone

11. 2-oxo-2h-pyran

12. Chembl1934663

13. Chebi:37965

14. 8ww45i202v

15. Oxidopyrylium

16. Unii-8ww45i202v

17. Einecs 207-990-5

18. 2h-pyrane-2-one

19. 1,2-pyrone

20. 2h-pyran, 2-oxo-

21. 2h-pyran-2-one, 90%

22. Dtxsid50198441

23. Zinc1846601

24. Bdbm50360796

25. Geo-04164

26. Mfcd00006639

27. Cs-w013734

28. As-56552

29. Db-051773

30. Ft-0622198

31. P1183

32. 2h-pyran-2-one, Technical, >=90% (gc)

33. 5-hydroxy-2,4-pentadienoic Acid Delta-lactone

34. F16388

35. 5-hydroxy-2,4-pentadienoic Acid Delta -lactone

36. A828125

37. Q209475

38. 2,4-pentadienoic Acid, 5-hydroxy-, .delta.-lactone

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₄O₂
Molecular Weight	96.08 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	96.021129366 g/mol
Monoisotopic Mass	96.021129366 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	133
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