1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

quinoxaline-2-carbaldehyde

2.1.2 InChI

InChI=1S/C9H6N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-6H

2.1.3 InChI Key

UJEHWLFUEQHEEZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)N=CC(=N2)C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1593-08-4

2. 2-formylquinoxaline

3. 2-quinoxalinecarboxaldehyde

4. 2-quinoxalinecarbaldehyde

5. Quinoxaline-2-carboxaldehyde

6. C9h6n2o

7. Mfcd00272280

8. Chinoxalin-2-aldehyd

9. Quinoxalin-2-carboxaldehyde

10. 2-quinoxaline-carboxaldehyde

11. 2-quinoxalinecarbaldehyde #

12. Quinoxaline-2-carboxyaldehyde

13. Schembl97699

14. Schembl9822778

15. Dtxsid50344042

16. Amy36711

17. Bbl011757

18. Stk346963

19. 2-quinoxalinecarbaldehyde, Aldrichcpr

20. Akos000118350

21. As-5670

22. Bp-10849

23. A3520

24. Bb 0216534

25. Cs-0043921

26. Ft-0674288

27. En300-13828

28. Quinoxaline-2-carbaldehyde;2-formylquinoxaline

29. 10.14272/ujehwlfueqheez-uhfffaoysa-n.1

30. Doi:10.14272/ujehwlfueqheez-uhfffaoysa-n.1

31. W-205839

32. Z94602017

33. F1938-0001

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₆N₂O
Molecular Weight	158.16 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	42.8
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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

CAS 1593-08-4

CAS 1593-08-4

CHEMISTRY

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