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CAS 6537-46-8

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CHEMISTRY

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Chemistry

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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 Formula	C₁₂H₇NO₂
Molecular Weight	197.19 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	197.047678466 g/mol
Monoisotopic Mass	197.047678466 g/mol
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	266
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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