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2D Structure
Also known as: 22042-71-3, 2-(4-formylphenoxy)acetic acid, (4-formylphenoxy)acetic acid, Acetic acid, (4-formylphenoxy)-, P-formylphenoxyacetic acid, (p-formylphenoxy)acetic acid
Molecular Formula
C9H8O4
Molecular Weight
180.16  g/mol
InChI Key
OYNIIKHNXNPSAG-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-formylphenoxy)acetic acid
2.1.2 InChI
InChI=1S/C9H8O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
2.1.3 InChI Key
OYNIIKHNXNPSAG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C=O)OCC(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 22042-71-3

2. 2-(4-formylphenoxy)acetic Acid

3. (4-formylphenoxy)acetic Acid

4. Acetic Acid, (4-formylphenoxy)-

5. P-formylphenoxyacetic Acid

6. (p-formylphenoxy)acetic Acid

7. 4-(carboxymethyloxy)benzaldehyde

8. Acetic Acid, 2-(4-formylphenoxy)-

9. 4-formyl Phenoxy Acetic Acid

10. 4-formylphenoxyactic Acid

11. 4-formylphenoxy Acetic Acid

12. 4-carboxymethoxy-benzaldehyde

13. Schembl349060

14. (4-formyl Phenoxy)acetic Acid

15. 2-(4-formylphenoxy)aceticacid

16. 4-(carboxymethoxy)benzaldehyde

17. 4-formylphenoxyaceticacid

18. (4-formyl-phenoxy)-acetic Acid

19. Dtxsid9066754

20. Acetic Acid, (p-formylphenoxy)-

21. Zinc563143

22. Albb-004728

23. Einecs 244-749-3

24. Bbl023166

25. Mfcd00016613

26. Stk187120

27. Acetic Acid, 2-(4-formylphenyloxy)-

28. Akos000113209

29. Upcmld0enat5799832:001

30. As-19908

31. 4-formylphenoxyacetic Acid, >=97.0% (t)

32. Cs-0137169

33. F0319

34. Ft-0616775

35. A878784

36. Ag-205/04819042

37. J-014440

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 180.16 g/mol
Molecular Formula C9H8O4
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass180.04225873 g/mol
Monoisotopic Mass180.04225873 g/mol
Topological Polar Surface Area63.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1