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ACTIVE PHARMA INGREDIENTS

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Also known as: 105560-93-8, Methyl (2r,3s)-2,3-epoxy-3-(4-methoxyphenyl)propronate, D8mq7l5pj2, (2r,3s)-methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate, Methyl (2r,3s)-3-(4-methoxyphenyl)oxirane-2-carboxylate, Methyl 2,3-epoxy-3-(4-methoxyphenyl)propionate, (2r,3s)-(-)-

Molecular Formula

C₁₁H₁₂O₄

Molecular Weight

208.21 g/mol

InChI Key

CVZUMGUZDAWOGA-VHSXEESVSA-N

FDA UNII

D8MQ7L5PJ2

1 2D Structure

Methyl 2R 3S-3-4-Methoxyphenyl-Oxirane-2-Carboxylate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2R,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate

2.1.2 InChI

InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3/t9-,10+/m0/s1

2.1.3 InChI Key

CVZUMGUZDAWOGA-VHSXEESVSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2C(O2)C(=O)OC

2.1.5 Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H](O2)C(=O)OC

2.2 Other Identifiers

2.2.1 UNII

D8MQ7L5PJ2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(-methoxyphenyl)glycidic Acid Methylester

2. Methyl (2r,3s)-3-(4-methoxyphenyl)glycidate

3. Methyl 2,3-epoxy-3-(4-methoxyphenyl)propionate

4. Methyl 3-(4-methoxyphenyl)glycidate

5. Methyl-3-(4-methoxyphenyl)glycidate

6. T-methyl-3-phenylglycidate

2.3.2 Depositor-Supplied Synonyms

1. 105560-93-8

2. Methyl (2r,3s)-2,3-epoxy-3-(4-methoxyphenyl)propronate

3. D8mq7l5pj2

4. (2r,3s)-methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate

5. Methyl (2r,3s)-3-(4-methoxyphenyl)oxirane-2-carboxylate

6. Methyl 2,3-epoxy-3-(4-methoxyphenyl)propionate, (2r,3s)-(-)-

7. Oxiranecarboxylic Acid, 3-(4-methoxyphenyl)-, Methyl Ester, (2r,3s)-rel-

8. 84056-02-0

9. 96125-49-4

10. Methyl Trans-3-(4-methoxyphenyl)glycidate

11. Unii-d8mq7l5pj2

12. Methyl 2r,3s-(-)-3-(4-methoxyphenyl)oxiranecarboxylate

13. Schembl3201279

14. Cvzumguzdawoga-vhsxeesvsa-

15. Dtxsid40232949

16. Zinc120420

17. Albb-031368

18. Mfcd06658225

19. Akos015904393

20. Ac-22558

21. Ls-11349

22. Cs-0339560

23. Methyl (2r,3s)-3-(4-methoxyphenyl)glycidate

24. Ec 404-130-2

25. 560m938

26. Methyl 3-(4-methoxyphenyl)-2-oxiranecarboxylate #

27. (2r,3s)-3-(4-methoxyphenyl) Glycidic Acid Methyl Ester

28. (2r,3s)-3-(4-methoxyphenyl)glycidic Acid Methyl Ester

29. Glycidic Acid, Trans-3-[4-methoxyphenyl]-, Methyl Ester

30. Methyl (2r,3s)-2,3-epoxy-3-(4-methoxyphenyl) Propronate

31. Methyl 3-(4-methoxyphenyl)glycidate, Trans-(-)-

32. Methyl (-)-(2r,3s)-2,3-epoxy-3-(4-methoxyphenyl)propionate

33. (2r,3s)-3-(4-methoxyphenyl)-2,3-epoxypropionic Acid Methyl Ester

34. 3alpha-(4-methoxyphenyl)oxirane-2beta-carboxylic Acid Methyl Ester

35. Methyl (-) (2r,3s) 3-(4-methoxyphenyl)-2,3-epoxy-propionate

36. Methyl (2r,3s)-3-(4-methoxyphenyl)-2,3-epoxypropionate

37. Oxiranecarboxylic Acid, 3-(4-methoxyphenyl)-, Methyl Ester, (2r,3s)-

38. Oxiranecarboxylic Acid, 3-(4-methoxyphenyl)-, Methyl Ester, (2r-trans)-

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂O₄
Molecular Weight	208.21 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.07355886 g/mol
Monoisotopic Mass	208.07355886 g/mol
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1