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CAS 139-85-5
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 Weight 138.12 g/mol
Molecular Formula C7H6O3
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass138.031694049 g/mol
Monoisotopic Mass138.031694049 g/mol
Topological Polar Surface Area57.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anticoagulants

Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)


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Scinva is a startup dedicated to offering high-quality products and services, providing a comprehensive range of services from custom synthesis to the trade of innovative chemicals, intermediates, nutraceuticals, and excipients. Recognizing the evolving landscape of the chemical industry, Scinva focuses on the development, sourcing, and commercialization of novel products. The company aims to explore new areas and address niche markets, providing superior solutions and enhancing productivity throughout the product development cycle for its partners.
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207226-02-6
Erlotinib
Xieli is an EU GMP\ Japan GMP\ Chinese GMP certified manufacturer of Botanical derivative APIs and Oncolo...
Xieli is an EU GMP\ Japan GMP\ Chinese GMP certified manufacturer of Botanical derivative APIs and Oncology APIs from China.A leading producer of Rutin, Troxerutin, Diosmin, Artemisinin and Irinotecan HCL. DMF are available for products.Contract manufacturer for plant extraction, TCM, Solid formulation of Tablets, Granules, Capsules and etc with EU-GMP workshop.COS and cGMP application for products.R&D center, pilot scale plant, GMP workshops.
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171489-59-1
Tadalafil
Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated g...
Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.
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179688-53-0
Erlotinib
Zhejiang Apeloa Medical Technology Co., Ltd.(Zhejiang Apeloa Jiayuan Pharmaceutical Co., Ltd.) is a medic...
Zhejiang Apeloa Medical Technology Co., Ltd.(Zhejiang Apeloa Jiayuan Pharmaceutical Co., Ltd.) is a medicinal industry enterprise integrating R&D, manufacturing,marketing and contract manufacture of Intermediates, API and Amino acid. She owns the GMP workshops and USA FDA site inspected the API division at May, 2007, intermediates division at Jan., 2009.R&D center is a State Certificate Enterprise and Postdoctoral Workstation. She has acquired USA FDA and SFDA approval and got GMP and certificates.
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