CAS-4093-29-2

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CHEMISTRY

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 6 Related Intermediates

2 Suppliers
2 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 4093-29-2, Methyl 4-(acetylamino)-2-methoxybenzoate, Methyl 4-(acetylamino)-o-anisate, Methyl 4-acetamido-o-anisate, Benzoic acid, 4-(acetylamino)-2-methoxy-, methyl ester, W4ujw899ba

Molecular Formula

C₁₁H₁₃NO₄

Molecular Weight

223.22 g/mol

InChI Key

OERVVBDWGVOBIS-UHFFFAOYSA-N

FDA UNII

W4UJW899BA

1 2D Structure

CAS 4093-29-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-acetamido-2-methoxybenzoate

2.1.2 InChI

InChI=1S/C11H13NO4/c1-7(13)12-8-4-5-9(11(14)16-3)10(6-8)15-2/h4-6H,1-3H3,(H,12,13)

2.1.3 InChI Key

OERVVBDWGVOBIS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)OC)OC

2.2 Other Identifiers

2.2.1 UNII

W4UJW899BA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4093-29-2

2. Methyl 4-(acetylamino)-2-methoxybenzoate

3. Methyl 4-(acetylamino)-o-anisate

4. Methyl 4-acetamido-o-anisate

5. Benzoic Acid, 4-(acetylamino)-2-methoxy-, Methyl Ester

6. W4ujw899ba

7. Dtxsid7057739

8. 4-acetylamino-2-methoxy-benzoic Acid Methyl Ester

9. Mfcd00065258

10. Methyl 4-acetylamino-2-methoxybenzoate

11. 4-acetamido-2-methoxybenzoic Acid Methyl Ester

12. 4-acetylamino-2-methoxybenzoic Acid Methyl Ester

13. Methyl4-acetamido-2-methoxybenzoate

14. Unii-w4ujw899ba

15. Einecs 223-839-6

16. Schembl2555975

17. Chembl3560107

18. Dtxcid8031528

19. Tox21_113908

20. Methyl-4-acetamido-2-methoxybenzoate

21. Stk048494

22. Akos003238555

23. Cs-w020563

24. Methyl 4-acetamido-2-methoxy-benzoate

25. Sb79893

26. 4-acetamido-o-anisic Acid Methyl Ester

27. Ncgc00262910-01

28. Ds-17905

29. Sy034819

30. Cas-4093-29-2

31. Db-049683

32. Ft-0635121

33. M2776

34. Metoclopramide Impurity D [ep Impurity]

35. A825353

36. Sr-01000945021

37. Sr-01000945021-1

38. W-106330

39. Q27292298

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃NO₄
Molecular Weight	223.22 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	64.6
Heavy Atom Count	16
Formal Charge	0
Complexity	267
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