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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

CAS 5447-86-9
1 2D Structure

CAS 5447-86-9

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

BUILDING BLOCK

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