CAS 884-35-5

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Also known as: Methyl syringate, 884-35-5, Methyl 3,5-dimethoxy-4-hydroxybenzoate, Syringic acid methyl ester, Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester, Methyl 4-hydroxy-3,5-dimethoxy-benzoate

Molecular Formula

C₁₀H₁₂O₅

Molecular Weight

212.20 g/mol

InChI Key

ZMXJAEGJWHJMGX-UHFFFAOYSA-N

FDA UNII

W5A196MP8A

syringate is a natural product found in Buxus natalensis, Cestrum parqui, and other organisms with data available.

1 2D Structure

CAS 884-35-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-hydroxy-3,5-dimethoxybenzoate

2.1.2 InChI

InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3

2.1.3 InChI Key

ZMXJAEGJWHJMGX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1O)OC)C(=O)OC

2.2 Other Identifiers

2.2.1 UNII

W5A196MP8A

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Methyl Syringate

2.3.2 Depositor-Supplied Synonyms

1. Methyl Syringate

2. 884-35-5

3. Methyl 3,5-dimethoxy-4-hydroxybenzoate

4. Syringic Acid Methyl Ester

5. Benzoic Acid, 4-hydroxy-3,5-dimethoxy-, Methyl Ester

6. Methyl 4-hydroxy-3,5-dimethoxy-benzoate

7. W5a196mp8a

8. Chebi:45820

9. Mfcd00017199

10. Methyl 3,5-dimethoxy-4-hydroxybenzoate; Methyl Syringate

11. Nsc-16946

12. Sbb016976

13. Ai3-36426

14. Bmse010225

15. Novoprime F 258

16. Unii-w5a196mp8a

17. Schembl159392

18. Syringic Acid Monomethyl Ester

19. Chembl1236122

20. Dtxsid00237016

21. Hms3886a03

22. Zinc394334

23. Nsc611398

24. S4787

25. Akos002911941

26. Ccg-266660

27. Cs-w002116

28. Db08589

29. Ds-2684

30. Hy-w002116

31. Nsc-611398

32. Methyl 3,5-dimethoxy-4-hydroxy-benzoate

33. Sy032894

34. Methyl (4-hydroxy-3,5-dimethoxy)benzoate

35. 530-57-4, Me

36. Db-057070

37. Ft-0633079

38. M2806

39. 4-hydroxy-3,5-dimethoxybenzoic Acid Methyl Ester

40. 884m355

41. Q27097791

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₅
Molecular Weight	212.20 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	212.06847348 g/mol
Monoisotopic Mass	212.06847348 g/mol
Topological Polar Surface Area	65 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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