CAS 261-27-8

1 2D Structure

CAS 261-27-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5H-chromeno[2,3-b]pyridine

2.1.2 InChI

InChI=1S/C12H9NO/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)14-11/h1-7H,8H2

2.1.3 InChI Key

MXIYRNSRKGMBLQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2=C(N=CC=C2)OC3=CC=CC=C31

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 261-27-8

2. 5h-chromeno[2,3-b]pyridine

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

4. Chromeno[2,3-b]pyridine

5. Schembl1648508

6. Dtxsid50483581

7. Mfcd11558949

8. Zinc39199207

9. Akos006318583

10. As-61145

11. Sy113519

12. Cs-0197092

13. Ft-0655047

14. A12359

15. A818192

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₉NO
Molecular Weight	183.21 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	183.068413911 g/mol
Monoisotopic Mass	183.068413911 g/mol
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	207
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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