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2D Structure
Also known as: 6496-89-5, 2-(2,4-dimethoxyphenyl)acetic acid, (2,4-dimethoxyphenyl)acetic acid, Benzeneacetic acid, 2,4-dimethoxy-, 2,4-dimethoxybenzeneacetic acid, Mfcd00183328
Molecular Formula
C10H12O4
Molecular Weight
196.20  g/mol
InChI Key
ZFXFMGARFHRTTO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2,4-dimethoxyphenyl)acetic acid
2.1.2 InChI
InChI=1S/C10H12O4/c1-13-8-4-3-7(5-10(11)12)9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
2.1.3 InChI Key
ZFXFMGARFHRTTO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=C(C=C1)CC(=O)O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6496-89-5

2. 2-(2,4-dimethoxyphenyl)acetic Acid

3. (2,4-dimethoxyphenyl)acetic Acid

4. Benzeneacetic Acid, 2,4-dimethoxy-

5. 2,4-dimethoxybenzeneacetic Acid

6. Mfcd00183328

7. 2,4-dimethoxyphenyl Acetic Acid

8. Nsc512596

9. Schembl1097902

10. 2, 4-dimethoxyphenylacetic Acid

11. Dtxsid90325597

12. Chebi:125563

13. Hms1767d14

14. Zinc156375

15. Act00257

16. Albb-014521

17. (2,4-dimethoxy-phenyl)-acetic Acid

18. Stl195456

19. Akos000268866

20. Nsc-512596

21. Ps-3012

22. (2,4-dimethoxyphenyl)acetic Acid, 98%

23. Sy024550

24. Db-019971

25. Bb 0249000

26. Cs-0046814

27. D4106

28. Ft-0610144

29. A834923

30. W-203409

31. Brd-k45845523-001-01-6

32. Q27216176

33. 2-methoxy-2-(4-methoxyphenyl)acetic Acid;2,4-dimethoxyphenylacetic Acid

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 196.20 g/mol
Molecular Formula C10H12O4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886 g/mol
Monoisotopic Mass196.07355886 g/mol
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1