CAS 90-64-2

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Also known as: Dl-mandelic acid, 90-64-2, 2-hydroxy-2-phenylacetic acid, 611-72-3, Phenylglycolic acid, Amygdalic acid

Molecular Formula

C₈H₈O₃

Molecular Weight

152.15 g/mol

InChI Key

IWYDHOAUDWTVEP-UHFFFAOYSA-N

FDA UNII

NH496X0UJX

Mandelic Acid is an aromatic alpha hydroxy acid used in the treatment of urinary tract infections and as an oral antibiotic.

1 2D Structure

CAS 90-64-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxy-2-phenylacetic acid

2.1.2 InChI

InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)

2.1.3 InChI Key

IWYDHOAUDWTVEP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

NH496X0UJX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Mandelic Acid, (+-)-isomer

2. Mandelic Acid, (11)c-labeled

3. Mandelic Acid, (r)-isomer

4. Mandelic Acid, (s)-isomer

5. Mandelic Acid, Calcium (2:1) Salt

6. Mandelic Acid, Monoammonium Salt

7. Mandelic Acid, Monocalcium Salt

8. Mandelic Acid, Monolithium Salt

9. Mandelic Acid, Monosodium Salt

10. Mandelic Acid, Monosodium Salt, (r)-isomer

11. Mandelic Acid, Monosodium Salt, (s)-isomer

2.3.2 Depositor-Supplied Synonyms

1. Dl-mandelic Acid

2. 90-64-2

3. 2-hydroxy-2-phenylacetic Acid

4. 611-72-3

5. Phenylglycolic Acid

6. Amygdalic Acid

7. Paramandelic Acid

8. Racemic Mandelic Acid

9. Uromaline

10. Almond Acid

11. P-mandelic Acid

12. (rs)-mandelic Acid

13. 2-phenylglycolic Acid

14. Hydroxy(phenyl)acetic Acid

15. Phenylhydroxyacetic Acid

16. Glycolic Acid, Phenyl-

17. Acido Mandelico

18. Kyselina Mandlova

19. (+-)-mandelic Acid

20. Alpha-hydroxyphenylacetic Acid

21. 2-phenyl-2-hydroxyacetic Acid

22. Alpha-hydroxy-alpha-toluic Acid

23. (+/-)-alpha-hydroxyphenylacetic Acid

24. 2-hydroy-2-phenylacetic Acid

25. Dl-hydroxy(phenyl)acetic Acid

26. Benzeneacetic Acid, Alpha-hydroxy-

27. Nsc 7925

28. (+-)-alpha-hydroxybenzeneacetic Acid

29. Alpha-hydroxybenzeneacetic Acid

30. (+/-)-mandelic Acid

31. 2-hydroxy-2-phenyl-acetic Acid

32. (+-)-2-hydroxy-2-phenylethanoic Acid

33. Alpha-toluic Acid, Alpha-hydroxy-

34. Dl-2-hydroxy-2-phenylacetic Acid

35. Kyselina 2-fenyl-2-hydroxyethanova

36. Unii-nh496x0ujx

37. Nsc-7925

38. (+-)-alpha-hydroxyphenylacetic Acid

39. Einecs 202-007-6

40. Einecs 210-277-1

41. Nh496x0ujx

42. Benzeneacetic Acid, .alpha.-hydroxy-

43. Alpha-hydroxybenzeneacetic Acid, (+-)-

44. .alpha.-hydroxyphenylacetic Acid

45. Chebi:35825

46. Ai3-06293

47. (+/-)-alpha-hydroxybenzeneacetic Acid

48. Dtxsid6023234

49. 2-hydroxy-2-phenylethanoic Acid

50. .alpha.-hydroxy-.alpha.-toluic Acid

51. .alpha.-toluic Acid, .alpha.-hydroxy-

52. Ammonium Mandelate

53. Mandelic-2,3,4,5,6-d5 Acid

54. (+)-mandelate, Xxi

55. Benzeneacetic Acid, .alpha.-hydroxy-, (.+/-.)-

56. Mandelic-acid

57. Mandelic Acid (mart.)

58. Mandelic Acid [mart.]

59. Mandelic Acid (usp-rs)

60. Mandelic Acid [usp-rs]

61. Mandelic Acid [usp]

62. Dl-amygdalic Acid

63. Dl-mandelicacid

64. Acido Mandelico [italian]

65. Kyselina Mandlova [czech]

66. Glycopyrronium Bromide Impurity C (ep Impurity)

67. Glycopyrronium Bromide Impurity C [ep Impurity]

68. Homatropine Hydrobromide Impurity C (ep Impurity)

69. Homatropine Hydrobromide Impurity C [ep Impurity]

70. Homatropine Methylbromide Impurity C (ep Impurity)

71. Homatropine Methylbromide Impurity C [ep Impurity]

72. Mandelsaeure

73. Kyselina 2-fenyl-2-hydroxyethanova [czech]

74. Benzoglycolic Acid

75. Phenylacetic Acid, Alpha-hydroxy-

76. Ncgc00166022-01

77. L(+)mandelic Acid

78. (+) Mandelic Acid

79. (+)-mandelic Acid

80. Ppcm

81. Samma

82. Hyroxyphenylacetic Acid

83. Mandelic Acid, 99%

84. (-)-mandelate, Xx

85. Hydroxyphenyl Acetic Acid

86. 81432-25-9

87. Benzeneacetic Acid, .alpha.-hydroxy-, (.alpha.r)-

88. Pregabalin Ep Impurity C

89. Wln: Qyr&vq

90. Hydroxy-phenyl-acetic Acid

91. Mandelic Acid, >=99%

92. Dl-mandelic Acid, 99%

93. Mandelic Acid [mi]

94. Schembl1050

95. (.+/-.)-mandelic Acid

96. Chembl1609

97. 2-hydroxy-2-phenylaceticacid

98. Mandelic Acid [inci]

99. Mls001074208

100. Indole-3,5-dialdehyde

101. Dtxcid203234

102. Mandelic Acid [who-dd]

103. .alpha.-phenylhydroxyacetic Acid

104. Bdbm92715

105. Nsc7925

106. 2-oxidanyl-2-phenyl-ethanoic Acid

107. Hms2230f19

108. Hms3371m20

109. Hms3373a03

110. (2rs)-hydroxy(phenyl)ethanoic Acid

111. Bbl028097

112. Mfcd00064250

113. S3363

114. Stl283951

115. Akos000118795

116. Akos016050628

117. Cs-w016307

118. Db13218

119. Hy-w015591

120. Ks-1423

121. Ncgc00166023-01

122. Ncgc00166269-01

123. Phenylacetic Acid, Alpha--hydroxy-

124. (.+/-.)-alpha-hydroxybenzeneacetic Acid

125. Ac-12228

126. Smr000653543

127. Sy001645

128. Sy001670

129. Db-016128

130. Db-016158

131. Ds-000887

132. Am20060842

133. M0038

134. Ns00001311

135. Benzeneacetic Acid, .alpha.-hydroxy-, ( )-

136. Benzeneacetic Acid, .alpha.-hydroxy-, (s)-

137. En300-19482

138. Phenylacetic Acid, .alpha.--hydroxy-

139. A19434

140. Dl-mandelic Acid, Analytical Reference Material

141. Mls-0090887.0001

142. A833072

143. Ae-562/40233036

144. Q412293

145. (2rs)-2-hydroxy-2-phenylacetic Acid (mandelic Acid)

146. Mandelic Acid ((2rs)-2-hydroxy-2-phenylacetic Acid)

147. 14a53e4a-8315-42a7-9d60-de06ccbb1af9

148. F2191-0202

149. Z104473974

150. Mandelic Acid, United States Pharmacopeia (usp) Reference Standard

151. D-2-hydroxy-2-phenylacetic Acid; (s)-(+)-alpha-hydroxyphenylacetic Acid

152. 32518-00-6

153. A-hydroxy-benzeneacetic Acid; Hydroxy(phenyl)acetic Acid; 2-phenylglycolic Acid; 2-hydroxy-2-phenylacetic Acid; Alpha-hydroxyphenylacetic Acid;r(-)-mandelic Acid

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₈O₃
Molecular Weight	152.15 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	57.5
Heavy Atom Count	11
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1