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2D Structure
Also known as: Veratrole, 91-16-7, Veratrol, O-dimethoxybenzene, Pyrocatechol dimethyl ether, Benzene, 1,2-dimethoxy-
Molecular Formula
C8H10O2
Molecular Weight
138.16  g/mol
InChI Key
ABDKAPXRBAPSQN-UHFFFAOYSA-N
FDA UNII
61WJZ2Q41I

veratrole is a natural product found in Ophrys sphegodes, Phallus impudicus, and other organisms with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2-dimethoxybenzene
2.1.2 InChI
InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
2.1.3 InChI Key
ABDKAPXRBAPSQN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=CC=C1OC
2.2 Other Identifiers
2.2.1 UNII
61WJZ2Q41I
2.3 Synonyms
2.3.1 MeSH Synonyms

1. O-dimethoxybenzene

2. Veratrole

2.3.2 Depositor-Supplied Synonyms

1. Veratrole

2. 91-16-7

3. Veratrol

4. O-dimethoxybenzene

5. Pyrocatechol Dimethyl Ether

6. Benzene, 1,2-dimethoxy-

7. Catechol Dimethyl Ether

8. 2-methoxyanisole

9. O,o-dimethyl Catechol

10. 2-dimethoxybenzol

11. Benzene, O-dimethoxy-

12. Synthol

13. Methylguaiacol

14. Fema No. 3799

15. Methyl Guaiacol

16. Dimethylether Pyrokatechinu

17. Mfcd00008357

18. Nsc 16934

19. O-dimethoxy-benzene

20. Orthodimethoxybenzene

21. Dimethoxybenzene

22. 1,2-dimethoxy Benzene

23. 1,2-dimethoxy-benzene

24. 61wjz2q41i

25. Chembl1668603

26. Chebi:59114

27. Nsc-16934

28. 1,2-dimethoxybenzene Puriss.

29. Brenzkatechindimethylether

30. Guaiacol Methylether

31. Dimethylether Pyrokatechinu [czech]

32. Einecs 202-045-3

33. Unii-61wjz2q41i

34. Ai3-02281

35. Dimethoxy Benzene

36. 1,2-dimethoxybenzene (veratrole)

37. Catechol Dimethylether

38. Veratrole [mi]

39. Bmse010219

40. Veratrol [who-dd]

41. Ec 202-045-3

42. Dsstox_cid_27065

43. Dsstox_rid_82081

44. Nciopen2_004258

45. Dsstox_gsid_47065

46. Wln: 1or Bo1

47. Ghl.pd_mitscher_leg0.397

48. Schembl105872

49. Dtxsid7047065

50. Fema 3799

51. Zinc388251

52. Cs-b1822

53. Hy-b1812

54. Nsc16934

55. Tox21_302297

56. 1,2-dimethoxybenzene [fhfi]

57. Bbl011562

58. Bdbm50336488

59. Stl146732

60. 1,2-dimethoxybenzene, >=99%, Fg

61. Akos000120951

62. Ccg-327696

63. Cas-91-16-7

64. Ncgc00256103-01

65. As-12860

66. Sy001445

67. Db-013756

68. D0627

69. Ft-0659804

70. Ft-0664408

71. 1,2-dimethoxybenzene, Reagentplus(r), 99%

72. D70447

73. 1,2-dimethoxybenzene, Puriss., >=99.0% (gc)

74. A843745

75. Q131994

76. Q-200062

77. 1,2-dimethoxybenzene, Vetec(tm) Reagent Grade, 98%

78. Z53833941

79. F1908-0109

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 138.16 g/mol
Molecular Formula C8H10O2
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass138.068079557 g/mol
Monoisotopic Mass138.068079557 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity81.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1