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Overview of CAS 1126-61-0

Client Email Product
4CN-1272
PharmaCompass
  • Chemistry
4CN-1272
Also known as: 1126-61-0, 4-allylbenzene-1,2-diol, Hydroxychavicol, 2-hydroxychavicol, 4-allylcatechol, 1,2-benzenediol, 4-(2-propenyl)-
Molecular Formula
C9H10O2
Molecular Weight
150.177  g/mol
InChI Key
FHEHIXJLCWUPCZ-UHFFFAOYSA-N

1 2D Structure

4CN-1272

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-prop-2-enylbenzene-1,2-diol
2.1.2 InChI
InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2
2.1.3 InChI Key
FHEHIXJLCWUPCZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=CCC1=CC(=C(C=C1)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1126-61-0

2. 4-allylbenzene-1,2-diol

3. Hydroxychavicol

4. 2-hydroxychavicol

5. 4-allylcatechol

6. 1,2-benzenediol, 4-(2-propenyl)-

7. Ccris 1524

8. 4-allyl Catechol

9. Fhehixjlcwupcz-uhfffaoysa-n

10. 4-(prop-2-en-1-yl)benzene-1,2-diol

11. Ak112310

12. W-200844

13. Hydroxy Chavicol

14. 4-hydroxychavicol

15. Desmethylisoeugenol

16. 4-allylbenzene-1,2-d

17. Ac1l2ety

18. Ac1q7acd

19. 4-allyl-1,2-benzenediol

20. 3,4-dihydroxy-allylbenzene

21. Schembl43300

22. Bio-0330

23. 1,2-dihydroxy-4-allylbenzene

24. 4-allyl-1,2-dihydroxybenzene

25. Chembl111134

26. Ctk4a7911

27. 4-prop-2-enylbenzene-1,2-diol

28. Dtxsid20150112

29. Molport-002-507-057

30. Zinc586482

31. 4-(2-propenyl)-1,2-benzenediol

32. Bb_nc-00472

33. Hy-n1887

34. Bbl029399

35. Fch830127

36. Stk046904

37. Akos005384863

38. Cs-7492

39. Mcule-2364630742

40. 4-allylpyrocatechol, Analytical Standard

41. 1,2-benzenediol,4-(2-propen-1-yl)-

42. 4cn-1272

43. Aj-23617

44. Sc-99007

45. Ax8081987

46. Kb-239887

47. Ls-172194

48. Bg00600593

49. St24043179

50. W2121

2.3 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 150.177 g/mol
Molecular Formula C9H10O2
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068 g/mol
Monoisotopic Mass150.068 g/mol
Topological Polar Surface Area40.5 A^2
Heavy Atom Count11
Formal Charge0
Complexity134
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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