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Chemistry

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Also known as: 106562-32-7, 7-amino-4-methyl-3-coumarinylacetic acid, 2-(7-amino-4-methyl-2-oxo-2h-chromen-3-yl)acetic acid, 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic acid, Amca-h, Amca acid
Molecular Formula
C12H11NO4
Molecular Weight
233.22  g/mol
InChI Key
QEQDLKUMPUDNPG-UHFFFAOYSA-N

7-Amca
1 2D Structure

7-Amca

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic acid
2.1.2 InChI
InChI=1S/C12H11NO4/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4H,5,13H2,1H3,(H,14,15)
2.1.3 InChI Key
QEQDLKUMPUDNPG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 7-amca Compound

2. 7-amino-4-methyl-3-coumarinylacetic Acid

2.2.2 Depositor-Supplied Synonyms

1. 106562-32-7

2. 7-amino-4-methyl-3-coumarinylacetic Acid

3. 2-(7-amino-4-methyl-2-oxo-2h-chromen-3-yl)acetic Acid

4. 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic Acid

5. Amca-h

6. Amca Acid

7. 2h-1-benzopyran-3-acetic Acid, 7-amino-4-methyl-2-oxo-

8. 7-amino-4-methylcoumarin-3-acetate

9. 7-amino-4-methyl-3-coumarinylacetic Acid(amca)

10. Schembl72225

11. Lczc366

12. 2h-1-benzopyran-3-acetic Acid

13. Zinc57548

14. Dtxsid20147648

15. Hy-d0025

16. Mfcd00081051

17. Akos015893953

18. 1-boc-3-amino-3-piperidinecarboxylicacid

19. Am806697

20. Ls-14055

21. Db-040691

22. Cs-0009918

23. Ft-0642624

24. T70054

25. A801463

26. F05-0020

27. J-100002

28. 2-oxo-4-methyl-7-amino-alpha-chromene-3-acetic Acid

29. 7-amino-4-methyl-3-coumarinylacetic Acid, Bioreagent, Suitable For Fluorescence, ~90% (hplc)

2.3 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 233.22 g/mol
Molecular Formula C12H11NO4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass233.06880783 g/mol
Monoisotopic Mass233.06880783 g/mol
Topological Polar Surface Area89.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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11-Aug-2021
16-Feb-2024
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