CAS 6836-19-7

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7 Related Intermediates

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Chemistry

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Also known as: 6836-19-7, 7-methoxyl-1-tetralone, 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one, 7-methoxy-3,4-dihydro-2h-naphthalen-1-one, 7-methoxy-3,4-dihydronaphthalen-1(2h)-one, Mfcd00001696

Molecular Formula

C₁₁H₁₂O₂

Molecular Weight

176.21 g/mol

InChI Key

GABLTKRIYDNDIN-UHFFFAOYSA-N

1 2D Structure

CAS 6836-19-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-methoxy-3,4-dihydro-2H-naphthalen-1-one

2.1.2 InChI

InChI=1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3

2.1.3 InChI Key

GABLTKRIYDNDIN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(CCCC2=O)C=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6836-19-7

2. 7-methoxyl-1-tetralone

3. 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one

4. 7-methoxy-3,4-dihydro-2h-naphthalen-1-one

5. 7-methoxy-3,4-dihydronaphthalen-1(2h)-one

6. Mfcd00001696

7. 1(2h)-naphthalenone, 3,4-dihydro-7-methoxy-

8. 3,4-dihydro-7-methoxy-1(2h)-naphthalenone

9. 7-methoxy-1,2,3,4-tetrahydro-1-naphthalenone

10. 7-methoxytetralin-1-one

11. 7-methoxytetralone

12. Nsc97611

13. 7-methoxy-tetralone

14. Einecs 229-916-0

15. 7-methoxy Tetralone

16. Dezocine Intermediates

17. 7-methoxy-1-tetraione

18. Unii-h4fz2w25vz

19. H4fz2w25vz

20. Nciopen2_001805

21. Schembl120284

22. Amy490

23. 7-methoxy-1-tetralone, 99%

24. Gabltkriydndin-uhfffaoysa-

25. Dtxsid30218494

26. Bcp33967

27. Zinc4521666

28. Nsc 97611

29. Nsc-97611

30. Akos005199154

31. Ab00146

32. Ac-1074

33. Cs-w001925

34. Dg-0040

35. Ac-24405

36. Sy014026

37. Db-001013

38. 7-methoxy-3,4-dihydro-1(2h)-naphthalenone

39. Ft-0621444

40. M2092

41. 7-methoxy-3,4-dihydro-1 (2h)-naphthalenone

42. 7-methoxy-3,4-dihydro-1(2 H)-naphthalenone

43. 7-methoxy-3,4-dihydronaphthalene-1(2h)-one

44. 7-methoxy-3,4-dihydro-1(2h)-naphthalenone #

45. W-104676

46. Z1335657677

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂O₂
Molecular Weight	176.21 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	176.083729621 g/mol
Monoisotopic Mass	176.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
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