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Chemistry

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Also known as: 3453-33-6, 6-methoxynaphthalene-2-carbaldehyde, 6-methoxy-2-naphthalaldehyde, 6-methoxy-naphthalene-2-carbaldehyde, 6-methoxy-2-naphthalenecarboxaldehyde, Mfcd00081152
Molecular Formula
C12H10O2
Molecular Weight
186.21  g/mol
InChI Key
VZBLASFLFFMMCM-UHFFFAOYSA-N
FDA UNII
9244L5L5ZY

6-Methoxy-2-Naphthalaldehyde
1 2D Structure

6-Methoxy-2-Naphthalaldehyde

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-methoxynaphthalene-2-carbaldehyde
2.1.2 InChI
InChI=1S/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3
2.1.3 InChI Key
VZBLASFLFFMMCM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C=O
2.2 Other Identifiers
2.2.1 UNII
9244L5L5ZY
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6-methoxy-2-naphthalaldehyde

2. 6-methoxy-2-naphthalenecarboxaldehyde

3. Monal-62

2.3.2 Depositor-Supplied Synonyms

1. 3453-33-6

2. 6-methoxynaphthalene-2-carbaldehyde

3. 6-methoxy-2-naphthalaldehyde

4. 6-methoxy-naphthalene-2-carbaldehyde

5. 6-methoxy-2-naphthalenecarboxaldehyde

6. Mfcd00081152

7. 2-naphthalenecarboxaldehyde, 6-methoxy-

8. Monal-62

9. 9244l5l5zy

10. Unii-9244l5l5zy

11. Einecs 222-377-2

12. 6-methoxy-2-napthaldehyde

13. Dsstox_cid_31510

14. Dsstox_rid_97395

15. Dsstox_gsid_57721

16. 2-formyl-6-methoxynaphthalene

17. Schembl271175

18. Chembl3561749

19. Dtxsid3057721

20. Zinc157225

21. 6-methoxy-2-naphthaldehyde, 98%

22. Tox21_113771

23. 2-methoxynaphthalene-6-carboxaldehyde

24. Akos000120612

25. Ac-4360

26. Cs-w016900

27. Gs-3167

28. Ncgc00253645-01

29. Sy007526

30. Cas-3453-33-6

31. Db-048639

32. 2-methoxy-6-naphthalenecarboxaldehyde

33. Am20060609

34. Ft-0621183

35. M1090

36. En300-21083

37. 53m336

38. Sr-01000944800

39. Sr-01000944800-1

40. W-106732

41. Q27271470

42. Nabumetone Impurity, 6-methoxy-2-naphthaldehyde- [usp Impurity]

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 186.21 g/mol
Molecular Formula C12H10O2
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass186.068079557 g/mol
Monoisotopic Mass186.068079557 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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