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Technical details about CAS 5447-86-9, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 5447-86-9, 10,10-dimethylanthrone, 10,10-dimethylanthracen-9-one, 10,10-dimethylanthracen-9(10h)-one, 9(10h)-anthracenone, 10,10-dimethyl-, Mls002638559
Molecular Formula
C16H14O
Molecular Weight
222.28  g/mol
InChI Key
GWFCYDIAPRIMLA-UHFFFAOYSA-N
FDA UNII
E3A9WP7V4R

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
10,10-dimethylanthracen-9-one
2.1.2 InChI
InChI=1S/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3
2.1.3 InChI Key
GWFCYDIAPRIMLA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)C
2.2 Other Identifiers
2.2.1 UNII
E3A9WP7V4R
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 10,10-dimethylanthrone

2.3.2 Depositor-Supplied Synonyms

1. 5447-86-9

2. 10,10-dimethylanthrone

3. 10,10-dimethylanthracen-9-one

4. 10,10-dimethylanthracen-9(10h)-one

5. 9(10h)-anthracenone, 10,10-dimethyl-

6. Mls002638559

7. 10,10-dimethyl-10h-anthracen-9-one

8. E3a9wp7v4r

9. Nsc-17539

10. Smr001548032

11. 10,10-dimethyl-9(10h)-anthracenone

12. Nsc17539

13. Einecs 226-666-4

14. Unii-e3a9wp7v4r

15. Cid_79529

16. 10,10-dimethyl-9-anthrone

17. Schembl1855552

18. 10,10-dimethylanthrone-[d6]

19. Chembl1871596

20. 10,10-dimethyl-9-anthracenone

21. Bdbm93912

22. Dtxsid90202874

23. Hms3095e12

24. Amy32506

25. Bcp20577

26. Zinc1038974

27. Mfcd00204395

28. Nsc 17539

29. Stk398384

30. Akos005454004

31. Ac-2139

32. 10,10-dimethyl Anthracen-9(10h)-one

33. 112gi001

34. As-15903

35. 4-cyanophenyl-4-trans-ethylcyclohexylbenzoate

36. Cs-0022215

37. D5841

38. Ft-0651629

39. 447d869

40. J-504139

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 222.28 g/mol
Molecular Formula C16H14O
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass222.104465066 g/mol
Monoisotopic Mass222.104465066 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity290
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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