CAS 2144-08-3

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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

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 Formula	C₇H₆O₄
Molecular Weight	154.12 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	154.02660867 g/mol
Monoisotopic Mass	154.02660867 g/mol
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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