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Technical details about Sodium Propylparaben, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 35285-69-9, Sodium propylparaben, Sodium 4-(propoxycarbonyl)phenolate, Propyl 4-hydroxybenzoate sodium salt, Propylparaben sodium salt, Parasept
Molecular Formula
C10H11NaO3
Molecular Weight
202.18  g/mol
InChI Key
IXMINYBUNCWGER-UHFFFAOYSA-M
FDA UNII
625NNB0G9N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;4-propoxycarbonylphenolate
2.1.2 InChI
InChI=1S/C10H12O3.Na/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+1/p-1
2.1.3 InChI Key
IXMINYBUNCWGER-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCCOC(=O)C1=CC=C(C=C1)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
625NNB0G9N
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 35285-69-9

2. Sodium Propylparaben

3. Sodium 4-(propoxycarbonyl)phenolate

4. Propyl 4-hydroxybenzoate Sodium Salt

5. Propylparaben Sodium Salt

6. Parasept

7. Sodium;4-propoxycarbonylphenolate

8. Sodium Propyl Hydroxybenzoate

9. Propyl P-hydroxybenzoate, Sodium Salt

10. Sodium Propyl Paraben

11. Sodium Propyl Parahydroxybenzoate

12. Propylparaben (sodium)

13. E217

14. 625nnb0g9n

15. Caswell No. 714a

16. Sodium 4-propoxycarbonylphenoxide

17. Propylparaben Sodium [usan]

18. Natrium Propyl 4-hydroxybenzoat

19. Propyl-4-hydroxybenzoat Natriumsalz

20. Einecs 252-488-1

21. Propylparaben, Sodium Salt

22. Epa Pesticide Chemical Code 061204

23. Unii-625nnb0g9n

24. Sodium Propyl 4-hydroxybenzoate

25. Propylparaben Sodium [usan:nf]

26. Propylparabensodium

27. Propylparaben Sodium (nf)

28. 4-hydroxybenzoic Acid, Propyl Ester, Sodium Salt

29. Schembl48862

30. Chembl2107021

31. Dtxsid3042348

32. Sodium,4-propoxycarbonylphenolate

33. Hy-n2026a

34. Propylparaben Sodium [ii]

35. Sodium Propylparaben [inci]

36. Mfcd00016477

37. 4-(sodiooxy)benzoic Acid Propyl Ester

38. Akos015961951

39. 4-hydroxybenzoic Acid-propyl Ester Sodium

40. Ac-15528

41. As-14864

42. Db-048766

43. Cs-0128919

44. Ft-0639250

45. Sodium Propyl Hydroxybenzoate [mart.]

46. D02459

47. E75928

48. Sodium Propyl P-hydroxybenzoate (e 217)

49. Q3963919

50. W-106681

51. Sodium Propyl Parahydroxybenzoate [ep Monograph]

52. Benzoic Acid, P-hydroxy-, Propyl Ester, Sodium Deriv.

53. Benzoic Acid, 4-hydroxy-, Propyl Ester, Sodium Salt (1:1)

54. Propyl 4-hydroxybenzoate Sodium Salt, Tested According To Ph.eur.

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 202.18 g/mol
Molecular Formula C10H11NaO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass202.06058849 g/mol
Monoisotopic Mass202.06058849 g/mol
Topological Polar Surface Area49.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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