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2D Structure
Also known as: 35285-68-8, Sodium ethyl p-hydroxybenzoate, Sodium 4-(ethoxycarbonyl)phenolate, Ethylparaben sodium, Sodium;4-ethoxycarbonylphenolate, Ethylparaben, sodium salt
Molecular Formula
C9H9NaO3
Molecular Weight
188.16  g/mol
InChI Key
QYNMSPKSYXPZHG-UHFFFAOYSA-M
FDA UNII
Z0D00IVA10

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;4-ethoxycarbonylphenolate
2.1.2 InChI
InChI=1S/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;/q;+1/p-1
2.1.3 InChI Key
QYNMSPKSYXPZHG-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCOC(=O)C1=CC=C(C=C1)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
Z0D00IVA10
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 35285-68-8

2. Sodium Ethyl P-hydroxybenzoate

3. Sodium 4-(ethoxycarbonyl)phenolate

4. Ethylparaben Sodium

5. Sodium;4-ethoxycarbonylphenolate

6. Ethylparaben, Sodium Salt

7. Sodium Ethyl Parahydroxybenzoate

8. Z0d00iva10

9. 4-hydroxybenzoic Acid, Ethyl Ester, Sodium Salt

10. 4-hydroxybenzoic Acid-ethyl Ester Sodium

11. Ethylparaben Sodium (nf)

12. Ethylparaben Sodium [nf]

13. Sodium 4-ethoxycarbonylphenoxide

14. Einecs 252-487-6

15. Ethyl P-hydroxybenzoate, Sodium Salt

16. Unii-z0d00iva10

17. Ethylparaben Sodium Salt

18. Sodium Ethyl Hydroxybenzoate

19. Schembl475793

20. Dtxsid0042402

21. Sodium Ethylparaben [inci]

22. Sodium; 4-ethoxycarbonyl-phenolate

23. Ethyl Hydroxybenzoate Sodium

24. Act02627

25. Mfcd00016475

26. Sodium Ethyl 4-hydroxybenzoate

27. Akos006229160

28. Ethylparaben, Sodium Salt [ii]

29. Sodium 4-(ethoxycarbonyl)benzen-1-olate

30. E215

31. Cs-0151760

32. E-215

33. Ft-0688110

34. Sodium Ethyl Hydroxybenzoate [mart.]

35. D10929

36. E78650

37. Q3963917

38. W-106682

39. Sodium Ethyl Parahydroxybenzoate [ep Monograph]

40. Benzoic Acid, P-hydroxy-, Ethyl Ester, Sodium Deriv.

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 188.16 g/mol
Molecular Formula C9H9NaO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass188.04493843 g/mol
Monoisotopic Mass188.04493843 g/mol
Topological Polar Surface Area49.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2