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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

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 Formula	C₁₂H₁₀O₂
Molecular Weight	186.21 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	186.068079557 g/mol
Monoisotopic Mass	186.068079557 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	203
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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6-Methoxy-2-Naphthalaldehyde

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