CAS 139-85-5

Chemistry, 4 End Use API, 35 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: Protocatechualdehyde, 139-85-5, Protocatechuic aldehyde, Rancinamycin iv, Benzaldehyde, 3,4-dihydroxy-, 4-formyl-1,2-dihydroxybenzene

Molecular Formula

C₇H₆O₃

Molecular Weight

138.12 g/mol

InChI Key

IBGBGRVKPALMCQ-UHFFFAOYSA-N

FDA UNII

4PVP2HCH4T

3,4-dihydroxybenzaldehyde is a natural product found in Visnea mocanera, Amomum subulatum, and other organisms with data available.

1 2D Structure

CAS 139-85-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,4-dihydroxybenzaldehyde

2.1.2 InChI

InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H

2.1.3 InChI Key

IBGBGRVKPALMCQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C=O)O)O

2.2 Other Identifiers

2.2.1 UNII

4PVP2HCH4T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Protocatechualdehyde

2. Protocatechualdehyde, 3h-labeled

3. Protocatechualdehyde, Formyl-14c-labeled

4. Protocatechuic Aldehyde

5. Rancinamycin Iv

2.3.2 Depositor-Supplied Synonyms

1. Protocatechualdehyde

2. 139-85-5

3. Protocatechuic Aldehyde

4. Rancinamycin Iv

5. Benzaldehyde, 3,4-dihydroxy-

6. 4-formyl-1,2-dihydroxybenzene

7. 3,4-dihydroxybenzenecarbonal

8. 3,4-dihydroxy-benzaldehyde

9. 4-formyl-1,2-benzenediol

10. Mfcd00003370

11. 1,2-dihydroxy-4-formylbenzene

12. Nsc 22961

13. Chebi:50205

14. 4pvp2hch4t

15. 3,4-dihydroxy Benzaldehyde

16. Mls000069606

17. 3,4-dihydroxybenzaldehyde, 97%

18. Nsc-22961

19. Catechaldehyde

20. Smr000059038

21. Einecs 205-377-7

22. Unii-4pvp2hch4t

23. 3,4-dihydroxybenzyl Aldehyde

24. Protocatechuicaldehyde

25. Opera_id_356

26. 3,4 Dihydroxybenzaldehyde

27. 4,5-dihydroxybenzaldehyde

28. 3, 4-dihydroxybenzaldehyde

29. 3,4-dhbaop

30. Schembl36350

31. Mls001148401

32. Chembl222021

33. Gm-w03

34. Megxm0_000158

35. Dtxsid4074512

36. Acon1_001620

37. Nc 033

38. Protocatechualdehyde [mi]

39. Zinc13245

40. Hms2236h03

41. Hms3370f03

42. Bcp00880

43. Hy-n0295

44. Nsc22961

45. Dihydroxybenzaldehyde, 3,4-

46. Protocatechuicaldehyde [inci]

47. Bbl010377

48. S3952

49. Stl146017

50. Akos000119507

51. 3,4-dihydroxybenzaldehyde, Homopolymer

52. Ccg-266142

53. Cs-w009195

54. Db11268

55. Ps-5533

56. Ncgc00180319-01

57. Ac-10830

58. Ac-34922

59. Bp-11465

60. Sy001411

61. Am20020464

62. D0566

63. Ft-0614322

64. N2276

65. 3,4-dihydroxybenzaldehyde, Analytical Standard

66. 39d855

67. A14824

68. A15221

69. D-3480

70. Ar-360/40191185

71. Q411602

72. 3,4-dihydroxybenzaldehyde, Purum, >=97.0% (hplc)

73. 4-(hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one

74. F2190-0614

75. 3,4-dihydroxybenzaldehyde, Vetec(tm) Reagent Grade, 97%

76. H6n

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆O₃
Molecular Weight	138.12 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	138.031694049 g/mol
Monoisotopic Mass	138.031694049 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
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