MolPort-001-785-639

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

2 API Suppliers, 2 USDMF

PRICE INFORMATION

API Reference Price, API Imports

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

4,859

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: 2-acetoxyacetic acid, 13831-30-6, 2-acetyloxyacetic acid, Acetic acid, (acetyloxy)-, Acetic acid, 2-(acetyloxy)-, Acetoxuacetic acid

Molecular Formula

C₄H₆O₄

Molecular Weight

118.09 g/mol

InChI Key

MLXDUYUQINCFFV-UHFFFAOYSA-N

FDA UNII

YMD9TFB2PG

1 2D Structure

MolPort-001-785-639

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-acetyloxyacetic acid

2.1.2 InChI

InChI=1S/C4H6O4/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)

2.1.3 InChI Key

MLXDUYUQINCFFV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

YMD9TFB2PG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-acetoxyacetic Acid

2. 13831-30-6

3. 2-acetyloxyacetic Acid

4. Acetic Acid, (acetyloxy)-

5. Acetic Acid, 2-(acetyloxy)-

6. Acetoxuacetic Acid

7. (acetyloxy)acetic Acid

8. Glycolic Acid, Acetate

9. Ymd9tfb2pg

10. Nsc-72984

11. Unii-ymd9tfb2pg

12. 2-acetoxyaceticacid

13. Acetoxy Acetic Acid

14. Einecs 237-541-9

15. O-acetylglycolic Acid

16. Alpha-acetoxyacetic Acid

17. Substrate Analogue, 13

18. 2-(acetyloxy)acetic Acid

19. Acetoxyacetic Acid, 99%

20. .alpha.-acetoxyacetic Acid

21. 2-hydroxyacetic Acid Acetata

22. Schembl226224

23. Chembl2207139

24. Bdbm82195

25. Amy3826

26. Dtxsid60160578

27. Bcp32586

28. Nsc72984

29. Zinc1698817

30. Mfcd00011551

31. Nsc 72984

32. Akos001044291

33. Ds-2480

34. Db-042423

35. Cs-0155005

36. Ft-0636968

37. En300-24991

38. D81772

39. Acetic Acid, (acetyloxy)-;2-acetoxyacetic Acid

40. 831a306

41. A886265

42. J-007116

43. Q27294593

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₆O₄
Molecular Weight	118.09 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	118.02660867 g/mol
Monoisotopic Mass	118.02660867 g/mol
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	107
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