CAS 6496-89-5

1 2D Structure

CAS 6496-89-5

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 Formula	C₁₀H₁₂O₄
Molecular Weight	196.20 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886 g/mol
Monoisotopic Mass	196.07355886 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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