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Also known as: 2144-08-3, Pyrogallol-4-carboxaldehyde, Benzaldehyde, 2,3,4-trihydroxy-, Mfcd00003325, Chembl254077, Pyrogallolaldehyd
Molecular Formula
C7H6O4
Molecular Weight
154.12  g/mol
InChI Key
CRPNQSVBEWWHIJ-UHFFFAOYSA-N

CAS 2144-08-3
2,3,4-trihydroxybenzaldehyde is a natural product found in Pluchea sagittalis with data available.
1 2D Structure

CAS 2144-08-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3,4-trihydroxybenzaldehyde
2.1.2 InChI
InChI=1S/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11H
2.1.3 InChI Key
CRPNQSVBEWWHIJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1C=O)O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2144-08-3

2. Pyrogallol-4-carboxaldehyde

3. Benzaldehyde, 2,3,4-trihydroxy-

4. Mfcd00003325

5. Chembl254077

6. Pyrogallolaldehyd

7. Nsc22595

8. Einecs 218-404-2

9. Nsc 22595

10. Brn 2328658

11. Pyrogallol Aldehyde

12. 2,4-trihydroxybenzaldehyde

13. Dsstox_cid_31473

14. Dsstox_rid_97358

15. Dsstox_gsid_57684

16. Benzaldehyde,3,4-trihydroxy-

17. Schembl177256

18. 2,3,4-trihydroxy Benzaldehyde

19. 2,3,4-trihydroxy-benzaldehyde

20. Dtxsid9057684

21. Zinc1595754

22. Tox21_113928

23. Bdbm50234648

24. Nsc-22595

25. Stl183261

26. Akos004907179

27. Ccg-231105

28. Cs-w018058

29. Ncgc00262933-01

30. Ac-11255

31. As-12854

32. Bp-10570

33. Sy037740

34. Cas-2144-08-3

35. Db-045586

36. 2,3,4-trihydroxybenzaldehyde, 98%

37. Ft-0609391

38. T2158

39. 44t083

40. D71077

41. 3-08-00-03357 (beilstein Handbook Reference)

42. A815377

43. Sr-01000944725

44. Sr-01000944725-1

45. W-107553

46. Z1741978513

2.2.2 Other Synonyms

1. Benzaldehyde, 2,3,4-trihydroxy-

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 154.12 g/mol
Molecular Formula C7H6O4
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass154.02660867 g/mol
Monoisotopic Mass154.02660867 g/mol
Topological Polar Surface Area77.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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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