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Also known as: 300-57-2, 2-propenylbenzene, 3-phenyl-1-propene, Benzene, 2-propenyl-, Prop-2-enylbenzene, 3-phenylpropene
Molecular Formula
C9H10
Molecular Weight
118.18  g/mol
InChI Key
HJWLCRVIBGQPNF-UHFFFAOYSA-N

CAS 300-57-2
allylbenzene is a natural product found in Alpinia officinarum with data available.
1 2D Structure

CAS 300-57-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
prop-2-enylbenzene
2.1.2 InChI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
2.1.3 InChI Key
HJWLCRVIBGQPNF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=CCC1=CC=CC=C1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 300-57-2

2. 2-propenylbenzene

3. 3-phenyl-1-propene

4. Benzene, 2-propenyl-

5. Prop-2-enylbenzene

6. 3-phenylpropene

7. Benzene, Allyl-

8. Allyl Benzene

9. 1-phenyl-2-propene

10. 1-propene, 3-phenyl-

11. (prop-2-en-1-yl)benzene

12. Benzene, 2-propen-1-yl-, Homopolymer

13. 1-benzylethene

14. 25988-53-8

15. Einecs 206-095-7

16. Nsc 18609

17. Benzene, 2-propen-1-yl-

18. Brn 1098501

19. Allyl-benzene

20. Mfcd00008651

21. Allylbenzene, 98%

22. Prop-2-en-1-ylbenzene

23. 2-propen-1-yl-benzene

24. Unii-3vt7c9meq9

25. 3vt7c9meq9

26. 4-05-00-01362 (beilstein Handbook Reference)

27. Chembl501879

28. Dtxsid00861855

29. Nsc18609

30. Zinc1561526

31. Nsc-18609

32. Stl268883

33. Akos000121504

34. Cs-w011219

35. Fd14063

36. Ol10164

37. As-48898

38. Allylbenzene 100 Microg/ml In Acetonitrile

39. Db-029432

40. Ft-0622040

41. P0609

42. A820164

43. J-017751

44. Q56435819

45. F0001-0925

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 118.18 g/mol
Molecular Formula C9H10
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass118.078250319 g/mol
Monoisotopic Mass118.078250319 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity78
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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