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Overview of 4-Hydroxycoumarin

Client Email Product
4HC
PharmaCompass
4HC
Also known as: 1076-38-6, 4-coumarinol, Benzotetronic acid, 4-hydroxy-2h-chromen-2-one, Coumarin, 4-hydroxy-, 2h-1-benzopyran-2-one, 4-hydroxy-
Molecular Formula
C9H6O3
Molecular Weight
162.144  g/mol
InChI Key
VXIXUWQIVKSKSA-UHFFFAOYSA-N
FDA UNII
X954ZLL2RD

1 2D Structure

4HC

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-hydroxychromen-2-one
2.1.2 InChI
InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
2.1.3 InChI Key
VXIXUWQIVKSKSA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)O
2.2 Other Identifiers
2.2.1 UNII
X954ZLL2RD
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1076-38-6

2. 4-coumarinol

3. Benzotetronic Acid

4. 4-hydroxy-2h-chromen-2-one

5. Coumarin, 4-hydroxy-

6. 2h-1-benzopyran-2-one, 4-hydroxy-

7. 4-hydroxy-2h-1-benzopyran-2-one

8. 4-hydroxychromen-2-one

9. 4-hydroxy-chromen-2-one

10. Unii-x954zll2rd

11. 2-hydroxychromone

12. 4-hydroxycoumarine

13. 4-hydroxy-coumarin

14. 4-hydroxy Coumarin

15. 4-hydroxy-1-benzopyran-2-one

16. 2-hydroxychromen-4-one

17. 4-hydroxy-2-chromenone

18. Einecs 214-060-2

19. Nsc 11889

20. 4h-1-benzopyran-4-one, 2-hydroxy-

21. Brn 0129768

22. X954zll2rd

23. Ai3-52393

24. Chembl301141

25. Chebi:40070

26. Vxixuwqivksksa-uhfffaoysa-n

27. Nsc11889

28. 4-hydroxy-2h-benzo[b]pyran-2-one

29. 22105-09-5

30. 4hc

31. 4-hydroxycoumarins

32. Hydroxychromone

33. 4-hyroxycoumarin

34. 4- Hydroxycoumarin

35. Coumarinol

36. 4-monohydroxycoumarin

37. Pubchem8693

38. 4-hydroxycoumarin (old)

39. 4-hydroxycoumarin, 98%

40. Acmc-1bo7v

41. Cbiol_000838

42. Wln: T66 Bovj Eq

43. 5-18-01-00378 (beilstein Handbook Reference)

44. Ksc175m9d

45. Mls004491719

46. Schembl131312

47. Ac1l234k

48. Coumarin, 4-hydroxy- (8ci)

49. Megxm0_000452

50. Schembl1961365

51. Dtxsid8061472

52. Acon1_001952

53. Ctk0h5691

54. 4-hydroxy-2h-chromen-2-one #

55. Molport-000-294-754

56. Hms1607g02

57. 4-hydroxy-2-oxo-2h-1-benzopyran

58. Str01861

59. Anw-15833

60. Bbl027616

61. Bdbm50055710

62. Iccb4_000134

63. Mfcd00006856

64. Nsc-11889

65. Sbb038533

66. Stk801816

67. Zinc18154848

68. Zinc96006086

69. Akos000119142

70. Am84328

71. An-1038

72. Db03410

73. Ebd2035794

74. Ls40467

75. Mcule-5951606896

76. Rp22489

77. Rtc-020138

78. Tra-0204940

79. Ncgc00179970-01

80. Ac-13227

81. Aj-70366

82. Kb-39170

83. Ls-39686

84. Nci60_000453

85. Sc-00282

86. Smr000112320

87. Ab0004657

88. Db-014485

89. St2418405

90. Tc-020138

91. Tl8000267

92. Bb 0220623

93. Eu-0066799

94. Ft-0602218

95. Ft-0660645

96. St50211285

97. A-9316

98. C20414

99. 4-hydroxycoumarin, Vetec(tm) Reagent Grade, 98%

100. Sr-01000389319

101. I14-4404

102. J-515519

103. J-620003

104. Sr-01000389319-1

105. 4-hydroxy-2h-1-benzopyran-2-one (4-hydroxycoumarin)

106. Brd-k48844111-001-01-4

107. Z56922074

108. F0266-2972

109. Inchi=1/c9h6o3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10

2.4 Create Date
2011-12-26
3 Chemical and Physical Properties
Molecular Weight 162.144 g/mol
Molecular Formula C9H6O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass162.032 g/mol
Monoisotopic Mass162.032 g/mol
Topological Polar Surface Area46.5 A^2
Heavy Atom Count12
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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