CAS 123-08-0

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Chemistry

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Also known as: P-hydroxybenzaldehyde, 123-08-0, 4-formylphenol, P-formylphenol, P-oxybenzaldehyde, Benzaldehyde, 4-hydroxy-

Molecular Formula

C₇H₆O₂

Molecular Weight

122.12 g/mol

InChI Key

RGHHSNMVTDWUBI-UHFFFAOYSA-N

FDA UNII

O1738X3Y38

P-hydroxybenzaldehyde is a natural product found in Ficus septica, Visnea mocanera, and other organisms with data available.

1 2D Structure

CAS 123-08-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxybenzaldehyde

2.1.2 InChI

InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H

2.1.3 InChI Key

RGHHSNMVTDWUBI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

O1738X3Y38

2.3 Synonyms

2.3.1 MeSH Synonyms

1. P-formylphenol

2. P-hydroxybenzaldehyde

3. Para-hydroxybenzaldehyde

2.3.2 Depositor-Supplied Synonyms

1. P-hydroxybenzaldehyde

2. 123-08-0

3. 4-formylphenol

4. P-formylphenol

5. P-oxybenzaldehyde

6. Benzaldehyde, 4-hydroxy-

7. Parahydroxybenzaldehyde

8. Benzaldehyde, P-hydroxy-

9. 4-hydroxy-benzaldehyde

10. 4-hydroxy Benzaldehyde

11. Usaf M-6

12. Mfcd00006939

13. 4-formyl Phenol

14. Nsc 2127

15. P-hydroxy-benzaldehyde

16. Para-hydroxybenzaldehyde

17. 4-hydroxybenzenecarbonal

18. Chembl14193

19. Chebi:17597

20. Nsc-2127

21. O1738x3y38

22. Einecs 204-599-1

23. Brn 0471352

24. Ai3-15366

25. Ccris 8911

26. Para-hydroxy Benzaldehyde

27. 4-formyl-phenol

28. Unii-o1738x3y38

29. 4hydroxybenzaldehyde

30. P-hydroxibezaldehyde

31. P-hydroxybenzaldehye

32. 4-hydoxybenzaldehyde

33. 4-hydroxybenzaldehyd

34. 4-hydroxybezaldehyde

35. 4-hydroxybenzaldehye

36. 4-hydroxibenzaldehyde

37. 4-hydroxylbenzaldehyde

38. Benzaldehyde, 4-hydroxy-, Homopolymer

39. P-hydroxy Benzaldehyde

40. 4--hydroxybenzaldehyde

41. P-hydroxyl Benzaldehyde

42. 4-hydroxyl Benzaldehyde

43. 4-hydroxy- Benzaldehyde

44. Wln: Vhr Dq

45. Bmse000259

46. Bmse000582

47. Bmse010005

48. Schembl37193

49. 4-hydroxybenzaldehyde, 98%

50. 4-08-00-00251 (beilstein Handbook Reference)

51. Bidd:er0339

52. P-hydroxybenzaldehyde, Pract.

53. 4-hydroxybenzaldehyde, >=97%

54. Dtxsid8059552

55. Fema No. 3984

56. Hydroxybenzaldehyde [inci]

57. Nsc2127

58. 1k03

59. P-hydroxybenzaldehyde [mi]

60. Zinc156709

61. Act01156

62. Bcp26952

63. Cs-d1179

64. Hy-y0313

65. Str00705

66. 4-hydroxybenzaldehyde [fhfi]

67. 4-hydroxybenzaldehyde, >=97%, Fg

68. Bdbm50177411

69. Br1235

70. S6008

71. Stk188428

72. Akos000119184

73. Ac-2984

74. Am10667

75. Db03560

76. Ps-3635

77. Ncgc00188243-01

78. Ncgc00188243-02

79. 4-hydroxybenzaldehyde, Analytical Standard

80. 65581-83-1

81. Bp-30158

82. Sy003489

83. 4-hydroxybenzaldehyde, >=95.0% (hplc)

84. Db-003763

85. Ft-0631713

86. Ft-0669408

87. H0198

88. 4-(hydroxymethylene)-2,5-cyclohexadiene-1-one

89. C00633

90. H-3800

91. Ab-131/40191192

92. Q1953888

93. 4-hydroxybenzaldehyde, Vetec(tm) Reagent Grade, 95%

94. Z57127520

95. F2190-0635

96. P-hydroxybenzaldehyde;4-formylphenol;p-formylphenol;bisoprolol Fumarate Ep Impurity S

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₇H₆O₂
Molecular Weight	122.12 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	122.036779430 g/mol
Monoisotopic Mass	122.036779430 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	93.1
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