2-Benzylsuccinic acid manufacturers and suppliers on PharmaCompass

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Also known as: 884-33-3, Dl-benzylsuccinic acid, Benzylsuccinic acid, 2-benzylbutanedioic acid, 36092-42-9, Alpha-benzylsuccinic acid
Molecular Formula
C11H12O4
Molecular Weight
208.21  g/mol
InChI Key
GTOFKXZQQDSVFH-UHFFFAOYSA-N

2-Benzylsuccinic acid
1 2D Structure

2-Benzylsuccinic acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-benzylbutanedioic acid
2.1.2 InChI
InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
2.1.3 InChI Key
GTOFKXZQQDSVFH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Benzylsuccinic Acid

2.2.2 Depositor-Supplied Synonyms

1. 884-33-3

2. Dl-benzylsuccinic Acid

3. Benzylsuccinic Acid

4. 2-benzylbutanedioic Acid

5. 36092-42-9

6. Alpha-benzylsuccinic Acid

7. D,l-benzylsuccinic Acid

8. Nsc20708

9. .alpha.-benzylsuccinic Acid

10. (phenylmethyl)butanedioic Acid

11. Beta-carboxybenzenebutanoic Acid

12. Chembl151284

13. Chebi:16054

14. Benzenebutanoic Acid, .beta.-carboxy-

15. Mfcd00798341

16. Nsc-20708

17. Mfcd00055798

18. Nsc 20708

19. Benzyl Butanedioic Acid

20. 2-benzyl-succinic Acid

21. Mono Benzyl Succinic Acid

22. 2-benzylsuccinic Acid #

23. Alpha -benzylsuccinic Acid

24. Cbmicro_015697

25. Oprea1_299272

26. Schembl393002

27. Dl-benzylsuccinic Acid, >=99%

28. Dtxsid90859847

29. Butanedioic Acid, (phenylmethyl)-

30. Hms1608a16

31. Bcp12215

32. Bbl028067

33. Bdbm50121929

34. S6123

35. Stk524740

36. Akos001600536

37. Akos016038118

38. Ccg-103996

39. Hy-w044764

40. Sb46650

41. (2r)-2-(phenylmethyl)butanedioic Acid

42. Ncgc00322037-01

43. As-10262

44. Nci60_001739

45. Sy003042

46. Bim-0015709.p001

47. Db-020567

48. Am20060747

49. Cs-0037767

50. Ft-0611323

51. Ft-0624377

52. Ft-0652906

53. Ab01317455-02

54. 2-benzylbutanedioic Acid;2-benzylsuccinic Acid

55. 884b333

56. A842582

57. Q27098354

2.3 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 208.21 g/mol
Molecular Formula C11H12O4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass208.07355886 g/mol
Monoisotopic Mass208.07355886 g/mol
Topological Polar Surface Area74.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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