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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 28822-73-3, 4-(1,2-dihydroxyethyl)benzene-1,2-diol, Dopeg, 3343-19-9, 3,4-dihydroxyphenylethyleneglycol, Dl-3,4-dihydroxyphenylglycol

Molecular Formula

C₈H₁₀O₄

Molecular Weight

170.16 g/mol

InChI Key

MTVWFVDWRVYDOR-UHFFFAOYSA-N

FDA UNII

UEH9K539KJ

3,4-dihydroxyphenylglycol is a natural product found in Olea europaea and Homo sapiens with data available.

1 2D Structure

Dihydroxyphenylethylene Glycol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(1,2-dihydroxyethyl)benzene-1,2-diol

2.1.2 InChI

InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2

2.1.3 InChI Key

MTVWFVDWRVYDOR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C(CO)O)O)O

2.2 Other Identifiers

2.2.1 UNII

UEH9K539KJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3,4-dihydroxyphenylglycol , Dl-

2. Dhpg

3. Dihydroxyphenylethylene Glycol

4. Dihydroxyphenylethylene Glycol, (+-)-isomer

5. Dihydroxyphenylethylene Glycol, (s)-isomer

6. Dihydroxyphenylglycine

7. Dopeg

2.3.2 Depositor-Supplied Synonyms

1. 28822-73-3

2. 4-(1,2-dihydroxyethyl)benzene-1,2-diol

3. Dopeg

4. 3343-19-9

5. 3,4-dihydroxyphenylethyleneglycol

6. Dl-3,4-dihydroxyphenylglycol

7. Dihydroxyphenylethylene Glycol

8. 1,2-benzenediol, 4-(1,2-dihydroxyethyl)-

9. Rac 3,4-dihydroxyphenylethylene Glycol

10. Ueh9k539kj

11. 3,4-dihydroxyphenethyl Glycol

12. 4-(1,2-dihydroxyethyl)-1,2-benzenediol

13. 3,4-dihydroxyphenylethyl Glycol

14. (+/-)-3,4-dihydroxyphenylglycol

15. (3,4-dihydroxyphenyl)ethylene Glycol

16. 1,2-benzenediol, 4-(1,2-dihydroxyethyl)-, (-)-

17. Nsc 92532

18. Nsc-92532

19. 1-(3,4-dihydroxyphenyl)-1,2-ethanediol

20. Einecs 249-260-9

21. (1)-4-(1,2-dihydroxyethyl)pyrocatechol

22. 1-(3,4-dihydroxyphenyl)ethane-1,2-diol

23. Unii-ueh9k539kj

24. Schembl141609

25. Phenylglycol, 3,4-dihydroxy-

26. Chebi:1387

27. 3,4-dihydroxyphenylglycol, Dl-

28. Dtxsid20865451

29. (+-)-3,4-dihydroxyphenylglycol

30. Ba 2775

31. Nsc92532

32. Akos003368780

33. Akos016843225

34. Beta,3,4-trihydroxy Phenethyl Alcohol

35. Ba-2775

36. Cs-w010782

37. Hy-w010066

38. Dhpg (3,4-dihydroxyphenylglycol)

39. 2-hydroxy-2-(3,4-dihydroxy)phenylethanol

40. 3,4-dihydroxyphenylethan-1,2-diol

41. Db-047467

42. Ft-0638811

43. Ft-0694582

44. Rac 3,4-dihydroxyphenylethylene Glycol-[d5]

45. 3,4-dihydroxyphenylglycol, (+/-)-

46. C05576

47. A819617

48. Q262270

49. 1,2-benzenediol, 4-(1,2-dihydroxyethyl)-, (.+/-.)-

50. 1,2-ethanediol, 1-(3,4-dihydroxyphenyl)-, (.+/-.)-

51. 4740838a-79c1-450b-827d-a3b2f61834f4

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀O₄
Molecular Weight	170.16 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	170.05790880 g/mol
Monoisotopic Mass	170.05790880 g/mol
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	139
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