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Also known as: 634-36-6, Pyrogallol trimethyl ether, Benzene, trimethoxy-, Benzene, 1,2,3-trimethoxy-, Tri-o-methylpyrogallol, Trimethoxybenzene
Molecular Formula
C9H12O3
Molecular Weight
168.19  g/mol
InChI Key
CRUILBNAQILVHZ-UHFFFAOYSA-N
FDA UNII
MRE1O894FG

CAS 634-36-6
1,2,3-trimethoxybenzene is a natural product found in Tetrapanax papyrifer with data available.
1 2D Structure

CAS 634-36-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2,3-trimethoxybenzene
2.1.2 InChI
InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
2.1.3 InChI Key
CRUILBNAQILVHZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C(=CC=C1)OC)OC
2.2 Other Identifiers
2.2.1 UNII
MRE1O894FG
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,2,3-tmb

2.3.2 Depositor-Supplied Synonyms

1. 634-36-6

2. Pyrogallol Trimethyl Ether

3. Benzene, Trimethoxy-

4. Benzene, 1,2,3-trimethoxy-

5. Tri-o-methylpyrogallol

6. Trimethoxybenzene

7. 1,2,3-trimethoxy Benzene

8. 1,2,3-trimethoxybenzen

9. Mfcd00008358

10. 1,2,3-trimethoxy-benzene

11. Mre1o894fg

12. Nsc-10124

13. Methylsyringol (van)

14. Unii-mre1o894fg

15. Einecs 211-207-2

16. Nsc 10124

17. 1,3-trimethoxybenzene

18. Ai3-02077

19. 2,3,4-trimethoxybenzene

20. 1.2.3-trimethoxybenzene

21. Bmse010218

22. Cambridge Id 5108143

23. Schembl151213

24. Dtxsid1060899

25. Chebi:86529

26. Cruilbnaqilvhz-uhfffaoysa-

27. 1,2,3-trimethoxybenzene, 98%

28. Hms1577e02

29. Zinc152503

30. Bcp33591

31. Nsc10124

32. Stk499049

33. Akos000120025

34. Cs-w017808

35. Hy-w017092

36. As-12689

37. Sy036393

38. Db-003154

39. Ft-0606231

40. T1102

41. D70961

42. 634t366

43. A834379

44. Ah-034/32464032

45. Q-200055

46. Pyrogallol Trimethyl Ether;benzene, 1,2,3-trimethoxy-

47. Q27159216

48. F0001-1721

49. Z955123676

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 168.19 g/mol
Molecular Formula C9H12O3
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass168.078644241 g/mol
Monoisotopic Mass168.078644241 g/mol
Topological Polar Surface Area27.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity115
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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