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CAS 300-57-2 manufacturers and suppliers on PharmaCompass

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  • Chemistry
Allylbenzene
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

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

Allylbenzene

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
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