CAS 6722-09-4

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Also known as: 6722-09-4, Ah 6696, 5h-(1)benzopyrano(2,3-b)pyridin-5-ol, 5h-[1]benzopyrano[2,3-b]pyridin-5-ol, Ah-6696, 5h-[1]-benzopyrano[2,3-b]pyridin-5-ol

Molecular Formula

C₁₂H₉NO₂

Molecular Weight

199.20 g/mol

InChI Key

CAOGEKWDLGLKQK-UHFFFAOYSA-N

1 2D Structure

CAS 6722-09-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5H-chromeno[2,3-b]pyridin-5-ol

2.1.2 InChI

InChI=1S/C12H9NO2/c14-11-8-4-1-2-6-10(8)15-12-9(11)5-3-7-13-12/h1-7,11,14H

2.1.3 InChI Key

CAOGEKWDLGLKQK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(C3=C(O2)N=CC=C3)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ah 6696

2. Ah-6696

2.2.2 Depositor-Supplied Synonyms

1. 6722-09-4

2. Ah 6696

3. 5h-(1)benzopyrano(2,3-b)pyridin-5-ol

4. 5h-[1]benzopyrano[2,3-b]pyridin-5-ol

5. Ah-6696

6. 5h-[1]-benzopyrano[2,3-b]pyridin-5-ol

7. Schembl11811079

8. Dtxsid10986326

9. Bcp30773

10. 5-hydroxybenzopyrano[2,3-b]pyridine

11. Ac9216

12. Mfcd00030132

13. Akos015918458

14. Sy253269

15. Ft-0654196

16. 5-hydroxy-5h-[1]benzopyrano[2,3-b]pyridine

17. A835663

18. Ah 6696; Ah-6696; Ah6696;5h-(1)benzopyrano(2,3-b)pyridin-5-ol

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₉NO₂
Molecular Weight	199.20 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	199.063328530 g/mol
Monoisotopic Mass	199.063328530 g/mol
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1