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Also known as: Chromeno[2,3-b]pyridin-5-one, 5h-[1]benzopyrano[2,3-b]pyridin-5-one, Mfcd00052253, Mls000042757, 1-azaxanthone, 97%, Maybridge1_001189
Molecular Formula
C12H7NO2
Molecular Weight
197.19  g/mol
InChI Key
KWFWIGXYOMVRSA-UHFFFAOYSA-N

CAS 6537-46-8
1 2D Structure

CAS 6537-46-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
chromeno[2,3-b]pyridin-5-one
2.1.2 InChI
InChI=1S/C12H7NO2/c14-11-8-4-1-2-6-10(8)15-12-9(11)5-3-7-13-12/h1-7H
2.1.3 InChI Key
KWFWIGXYOMVRSA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)N=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Chromeno[2,3-b]pyridin-5-one

2. 5h-[1]benzopyrano[2,3-b]pyridin-5-one

3. Mfcd00052253

4. Mls000042757

5. 1-azaxanthone, 97%

6. Maybridge1_001189

7. 1-azaxanthone, Aldrichcpr

8. Oprea1_587629

9. Schembl2521419

10. Chembl1548339

11. Hms544o01

12. Hms2288b09

13. Zinc150805

14. Stk530525

15. Akos000279764

16. Ms-21966

17. Smr000038062

18. Sy253270

19. Cs-0241965

20. Ft-0607359

21. J-517574

2.3 Create Date
2005-06-29
3 Chemical and Physical Properties
Molecular Weight 197.19 g/mol
Molecular Formula C12H7NO2
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass197.047678466 g/mol
Monoisotopic Mass197.047678466 g/mol
Topological Polar Surface Area39.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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