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Chemistry

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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

Sodium Propylparaben
1 2D Structure

Sodium Propylparaben

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

API Reference Price

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07-Oct-2023
11-Oct-2024
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