1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-hydroxynaphthalene-2-carbonitrile

2.1.2 InChI

InChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H

2.1.3 InChI Key

WKTNIBWKHNIPQR-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 628-663-7

2. 6-cyano-2-naphthol

3. 52927-22-7

4. 6-hydroxynaphthalene-2-carbonitrile

5. 2-naphthalenecarbonitrile, 6-hydroxy-

6. 6-hydroxy-naphthalene-2-carbonitrile

7. Mfcd01863480

8. 2-cyano-6-hydroxynaphthalene

9. 2-hydroxy-6-cyanonaphthalene

10. 6-cyano-2-naphthol, 97%

11. Schembl1028464

12. Dtxsid90404614

13. 6-hydroxy-2-naphthalenecarbonitrile

14. Albb-026636

15. Akos015836114

16. Ac-6788

17. Cs-w002854

18. Fs-2638

19. 58200-90-1

20. Sy021503

21. Db-052211

22. H0995

23. En300-1615122

2.3 Create Date

2005-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₇NO
Molecular Weight	169.18 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	44
Heavy Atom Count	13
Formal Charge	0
Complexity	229
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 52927-22-7