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Chemistry

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Also known as: 3-hydroxybutanoic acid, 300-85-6, Butanoic acid, 3-hydroxy-, Beta-hydroxybutyric acid, 625-71-8, Dl-beta-hydroxybutyric acid
Molecular Formula
C4H8O3
Molecular Weight
104.10  g/mol
InChI Key
WHBMMWSBFZVSSR-UHFFFAOYSA-N
FDA UNII
TZP1275679

3-Hydroxybutanoic Acid
BUTYRIC ACID substituted in the beta or 3 position. It is one of the ketone bodies produced in the liver.
1 2D Structure

3-Hydroxybutanoic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-hydroxybutanoic acid
2.1.2 InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
2.1.3 InChI Key
WHBMMWSBFZVSSR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CC(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
TZP1275679
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (+ -)-3-hydroxybutyric Acid

2. 3 Hydroxybutyrate

3. 3 Hydroxybutyric Acid

4. 3-hydroxybutyrate

5. Beta Hydroxybutyrate

6. Beta Hydroxybutyric Acid

7. Beta-hydroxybutyrate

8. Beta-hydroxybutyric Acid

2.3.2 Depositor-Supplied Synonyms

1. 3-hydroxybutanoic Acid

2. 300-85-6

3. Butanoic Acid, 3-hydroxy-

4. Beta-hydroxybutyric Acid

5. 625-71-8

6. Dl-beta-hydroxybutyric Acid

7. 3 Hba

8. Dl-3-hydroxybutyric Acid

9. 3-hydroxybuttersaeure

10. Butyric Acid, 3-hydroxy-

11. Beta-hydroxybuttersaeure

12. Beta-hydroxybutyrate

13. Beta-hydroxy-n-butyric Acid

14. 3-hydroxy-butanoic Acid

15. .beta.-hydroxybutyric Acid

16. (1)-3-hydroxybutyric Acid

17. Poly-beta-hydroxybutyric Acid

18. (+-)-3-hydroxybutyric Acid

19. Beta-hydroxy-butyrate

20. (+/-)-3-hydroxybutyric Acid

21. D,l-3 Hydroxybutyrate

22. Beta-hydroxybutanoic Acid

23. Nsc 3806

24. Nsc-3806

25. Hydroxybutyric Acid, Dl-

26. .beta.-hydroxy-n-butyric Acid

27. Ai3-21675

28. 26063-00-3

29. D(-)-beta-hydroxy Butyric Acid

30. Chebi:20067

31. 3-hydroxybutyric Acid, (+/-)-

32. Tzp1275679

33. Butyric Acid, 3-hydroxy- (8ci)

34. Smr000112209

35. Poly(3-hydroxybutyrate)

36. Poly-beta-hydroxybutyrate

37. 3-hydroxybutyricacid

38. Unii-tzp1275679

39. 3-hydroxybutanoic Acid Homopolymer

40. Einecs 206-099-9

41. Einecs 210-908-0

42. 3-oh-butyric Acid

43. Bhba

44. 3- Hydroxybutyric Acid

45. 3-hydroxy-butyric Acid

46. Dl-3-hydroxybutyricacid

47. Bmse000161

48. Bmse000905

49. Schembl2731

50. (rs)-3-hydroxybutyric Acid

51. (+/-)-beta-hydroxybutyrate

52. Mls001332397

53. Mls001332398

54. 3-hydroxybutyric Acid, 95%

55. Dl-.beta.-hydroxybutyric Acid

56. (+/-)-3-hydroxybutanoic Acid

57. Chembl1162496

58. .beta.hydroxybutyric Acid

59. Dtxsid60859511

60. Nsc3806

61. (.+/-.)-3-hydroxybutyric Acid

62. Hms2270c20

63. Hms3369f13

64. Amy10050

65. Bbl027467

66. Lmfa01050005

67. Mfcd00004546

68. S1031

69. Stl377875

70. 3-hydroxybutyric Acid [inci]

71. Akos009156821

72. Ab88579

73. Ac-5701

74. Sb44475

75. Butanoic Acid, 3-hydroxy-, Homopolymer

76. .beta.-hydroxybutyric Acid [mi]

77. Beta-hydroxybutyric Acid [who-dd]

78. Vs-08544

79. Hy-113378

80. Cs-0062335

81. Ft-0605155

82. Ft-0605325

83. Ft-0615836

84. Ft-0625402

85. H0228

86. D84191

87. A833855

88. A876308

89. Q223092

90. J-016241

91. J-017776

92. 869dd3c9-3114-4be2-b4a6-6f1787476e95

93. Dl-3-hydroxybutyric Acid, (contains Polymolecular Esterification Product)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 104.10 g/mol
Molecular Formula C4H8O3
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass104.047344113 g/mol
Monoisotopic Mass104.047344113 g/mol
Topological Polar Surface Area57.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity69.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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[{"dataSource":"API Import","activeIngredients":"3-HYDROXYBUTANOIC ACID","year":"2021","qtr":"Q2","strtotime":1620585000,"product":"(2R,3R)-2-AMINO-3-HYDROXYBUTANOIC ACID","address":"20TH KM, HOSUR ROAD,ELECTRONIC CITY P.O.","city":"BANGALORE","supplier":"BLD PHARMATECH LTD","supplierCountry":"CHINA","foreign_port":"HONG KONG","customer":"SYNGENE INTERNATIONAL LIMITED","customerCountry":"INDIA","quantity":"0.05","actualQuantity":"50","unit":"GMS","unitRateFc":"6","totalValueFC":"368","currency":"USD","unitRateINR":"539.1","date":"10-May-2021","totalValueINR":"26954.04","totalValueInUsd":"368","indian_port":"BANGALORE AIR","hs_no":"29339990","bill_no":"3891444","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"HONG KONG","supplierAddress":"","customerAddress":"20TH KM, HOSUR ROAD,ELECTRONIC CITY P.O."}]
10-May-2021
10-May-2021
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