7-Amca

Synopsis, 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

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 Formula	C₁₂H₁₁NO₄
Molecular Weight	233.22 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	233.06880783 g/mol
Monoisotopic Mass	233.06880783 g/mol
Topological Polar Surface Area	89.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	388
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