CAS 20780-53-4

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Also known as: 20780-53-4, R-phenyloxirane, (r)-2-phenyloxirane, (r)-phenyloxirane, R-styrene oxide, (2r)-2-phenyloxirane

Molecular Formula

C₈H₈O

Molecular Weight

120.15 g/mol

InChI Key

AWMVMTVKBNGEAK-QMMMGPOBSA-N

FDA UNII

0HB27D5MRW

1 2D Structure

CAS 20780-53-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-phenyloxirane

2.1.2 InChI

InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1

2.1.3 InChI Key

AWMVMTVKBNGEAK-QMMMGPOBSA-N

2.1.4 Canonical SMILES

C1C(O1)C2=CC=CC=C2

2.1.5 Isomeric SMILES

C1[C@H](O1)C2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

0HB27D5MRW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 20780-53-4

2. R-phenyloxirane

3. (r)-2-phenyloxirane

4. (r)-phenyloxirane

5. R-styrene Oxide

6. (2r)-2-phenyloxirane

7. (r)-(epoxyethyl)benzene

8. (r)-(+)-styrene Oxide

9. Oxirane, Phenyl-, (2r)-

10. (r)-phenylethylene Oxide

11. Benzene, (epoxyethyl)-, (r)-

12. Styrene Oxide, (r)-

13. (r)-1,2-epoxyethylbenzene

14. 0hb27d5mrw

15. (r)-2-phenyl-oxirane

16. Chebi:45389

17. Oxirane, 2-phenyl-, (2r)-

18. (s)-(-)-styrene Oxide

19. Ccris 4093

20. Mfcd00066210

21. 2-phenyloxirane #

22. (-)-r-epoxystyrene

23. (r)-(+)-styreneoxide

24. (s)-(-)-phenyloxirane

25. R)-(+)-styrene Oxide

26. (r)-(+) Styrene Oxide

27. (r)-benzen

28. (+)-phenyloxirane

29. Unii-0hb27d5mrw

30. Mls001066357

31. Bidd:er0688

32. Schembl1943997

33. (r)-(-)-(epoxyethyl)benzene

34. Chembl1235743

35. Niosh/cz9625020

36. (+)-(r)-styrene Oxide

37. (r)-styrene 7,8-oxide

38. Hms2231g06

39. Zinc901251

40. (r)-(+)-styrene Oxide, 98%

41. Act02372

42. Amy14840

43. Akos015900618

44. Benzene, (epoxyethyl)-, (r)-(+)-

45. Benzene, (epoxyethyl)-, (r)-(-)-

46. Cs-w013577

47. Db04499

48. (r)-2-phenyloxirane;(r)-styrene Oxide

49. As-12169

50. Rso

51. Smr000471848

52. A4520

53. Cz96250200

54. S0516

55. F20441

56. 780s534

57. J-502525

58. Q27095270

59. (r)-(+)-styrene Oxide, 97%, Optical Purity Ee: 97% (glc)

60. (r)-(+)-styrene Oxide, Chipros(r), Produced By Basf, >=98%

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₈H₈O
Molecular Weight	120.15 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	120.057514874 g/mol
Monoisotopic Mass	120.057514874 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1