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ACTIVE PHARMA INGREDIENTS

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Also known as: 497-59-6, Poppy acid, 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid, 3-hydroxy-4-oxo-4h-pyran-2,6-dicarboxylic acid, Chembl109516, Nsc805

Molecular Formula

C₇H₄O₇

Molecular Weight

200.10 g/mol

InChI Key

ZEGRKMXCOCRTCS-UHFFFAOYSA-N

FDA UNII

V502I79516

meconic acid is a natural product found in Papaver somniferum with data available.

1 2D Structure

Meconic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-hydroxy-4-oxopyran-2,6-dicarboxylic acid

2.1.2 InChI

InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)

2.1.3 InChI Key

ZEGRKMXCOCRTCS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(OC(=C(C1=O)O)C(=O)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

V502I79516

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 497-59-6

2. Poppy Acid

3. 3-hydroxy-4-oxopyran-2,6-dicarboxylic Acid

4. 3-hydroxy-4-oxo-4h-pyran-2,6-dicarboxylic Acid

5. Chembl109516

6. Nsc805

7. Nsc-805

8. V502i79516

9. Oxychelidonic Acid

10. 3-hydroxy-4-oxo-1,4-pyran-2,6-dicarboxylic Acid

11. Mekonsaure

12. Opium Acid

13. Nsc 805

14. Unii-v502i79516

15. Einecs 207-848-2

16. Noname_429

17. Meconic Acid [mi]

18. Schembl546968

19. Schembl600257

20. 4h-pyran-2,6-dicarboxylic Acid, 3-hydroxy-4-oxo-

21. Dtxsid2060096

22. Dtxsid20901328

23. Chebi:166570

24. 4h-pyran-2, 3-hydroxy-4-oxo-

25. Zinc1587602

26. Bdbm50147502

27. 3-hydroxy-4-pyrone-2,6-dicarboxylic Acid

28. Db-083476

29. Ft-0710230

30. 3-hydroxy-4-oxo-pyran-2,6-dicarboxylic Acid

31. C20209

32. Q421116

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₄O₇
Molecular Weight	200.10 g/mol
XLogP3	0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	199.99570246 g/mol
Monoisotopic Mass	199.99570246 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	387
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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Meconic Acid

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