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Suanfarma Suanfarma

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Technical details about MolPort-001-766-735, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Adamantan-2-ol, 700-57-2, 2-hydroxyadamantane, Tricyclo[3.3.1.13,7]decan-2-ol, Chembl1269176, Tricyclo[3.3.1.1~3,7~]decan-2-ol
Molecular Formula
C10H16O
Molecular Weight
152.23  g/mol
InChI Key
FOWDOWQYRZXQDP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
adamantan-2-ol
2.1.2 InChI
InChI=1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2
2.1.3 InChI Key
FOWDOWQYRZXQDP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2CC3CC1CC(C2)C3O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Adamantan-2-ol

2. 700-57-2

3. 2-hydroxyadamantane

4. Tricyclo[3.3.1.13,7]decan-2-ol

5. Chembl1269176

6. Tricyclo[3.3.1.1~3,7~]decan-2-ol

7. Tricyclo(3.3.1.13,7)decan-2-ol

8. Mfcd00074744

9. 2alpha-adamantanol

10. Einecs 211-846-7

11. 2-adamantanol, 97%

12. Schembl350390

13. Schembl13082659

14. Dtxsid00220266

15. Hms1787b03

16. Albb-013875

17. Zinc1733114

18. Bdbm50329319

19. Nsc193480

20. Stk365644

21. 2-tricyclo[3.3.1.13,7]decanol

22. Akos001023938

23. Akos034830296

24. 2-tricyclo[3.3.1.13, 7]decanol

25. Ac-8481

26. Cs-w000383

27. Nsc 193480

28. Nsc-193480

29. Tricyclo[3.3.1.1(3,7)]decan-2-ol

30. Tricyclo[3.3.1.1<3,7>]decan-2-ol

31. Db-020353

32. A0720

33. Ft-0610989

34. F15454

35. 700a572

36. A836750

37. W-104572

38. Z56757309

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 152.23 g/mol
Molecular Formula C10H16O
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass152.120115130 g/mol
Monoisotopic Mass152.120115130 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity148
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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