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Overview of CAS 7021-11-6

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4CH-011180
PharmaCompass
  • Chemistry
4CH-011180
Also known as: 7021-11-6, 4-(4-hydroxyphenyl)butyric acid, Benzenebutanoic acid, 4-hydroxy-, 4-(4-hydroxyphenyl) butyric acid, Sbb052746, Nsc131303
Molecular Formula
C10H12O3
Molecular Weight
180.203  g/mol
InChI Key
WTDBNDAYNLGKGW-UHFFFAOYSA-N

1 2D Structure

4CH-011180

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(4-hydroxyphenyl)butanoic acid
2.1.2 InChI
InChI=1S/C10H12O3/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7,11H,1-3H2,(H,12,13)
2.1.3 InChI Key
WTDBNDAYNLGKGW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CCCC(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 7021-11-6

2. 4-(4-hydroxyphenyl)butyric Acid

3. Benzenebutanoic Acid, 4-hydroxy-

4. 4-(4-hydroxyphenyl) Butyric Acid

5. Sbb052746

6. Nsc131303

7. 4-carboxypropylphenol

8. Ac1l5re6

9. Ac1q5w0q

10. 4-hydroxybenzenebutanoic Acid

11. Schembl284671

12. 4-hydroxyphenethyl Acetic Acid

13. Ben277

14. Benzenebutanoic Acid,4-hydroxy-

15. 4-(4-hydroxyphenyl)butanoicacid

16. Ctk5d2045

17. Ks-00000jmw

18. Dtxsid20299550

19. Molport-008-752-364

20. Wtdbndaynlgkgw-uhfffaoysa-n

21. Lr-82

22. Zinc337856

23. 4-(4-hydroxy-phenyl)-butyric Acid

24. Anw-50133

25. Mfcd00033287

26. Akos006344522

27. Cs-w019452

28. Mcule-6084225772

29. Nsc-131303

30. Rp24152

31. Vz35290

32. Aj-19878

33. Ak-25224

34. Br-25224

35. Kb-34441

36. Sc-50035

37. Ts-00199

38. U198

39. St2410977

40. Tc-062049

41. 4ch-011180

42. Ft-0082189

43. Ft-0602060

44. S-4686

45. 021h116

46. I01-9773

47. Z1365534370

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 180.203 g/mol
Molecular Formula C10H12O3
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.079 g/mol
Monoisotopic Mass180.079 g/mol
Topological Polar Surface Area57.5 A^2
Heavy Atom Count13
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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