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Also known as: 1798-60-3, (r)-phenylacetylcarbinol, Phenylacetylcarbinol, (-)-, (r)-pac, (r)-1-hydroxy-1-phenyl-2-propanone, (r)-1-hydroxy-1-phenylpropan-2-one
Molecular Formula
C9H10O2
Molecular Weight
150.17  g/mol
InChI Key
ZBFFNPODXBJBPW-VIFPVBQESA-N
FDA UNII
7V3493I8FQ

CAS 1798-60-3
1 2D Structure

CAS 1798-60-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R)-1-hydroxy-1-phenylpropan-2-one
2.1.2 InChI
InChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3/t9-/m0/s1
2.1.3 InChI Key
ZBFFNPODXBJBPW-VIFPVBQESA-N
2.1.4 Canonical SMILES
CC(=O)C(C1=CC=CC=C1)O
2.1.5 Isomeric SMILES
CC(=O)[C@@H](C1=CC=CC=C1)O
2.2 Other Identifiers
2.2.1 UNII
7V3493I8FQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1798-60-3

2. (r)-phenylacetylcarbinol

3. Phenylacetylcarbinol, (-)-

4. (r)-pac

5. (r)-1-hydroxy-1-phenyl-2-propanone

6. (r)-1-hydroxy-1-phenylpropan-2-one

7. L-pac

8. (1r)-1-hydroxy-1-phenylpropan-2-one

9. (-)-phenylacetylcarbinol

10. (r)-1-hydroxy-1-phenylpropanone

11. 7v3493i8fq

12. (1r)-1-hydroxy-1-phenyl-2-propanone

13. L-phenylacetylcarbinol

14. Unii-7v3493i8fq

15. Einecs 217-285-4

16. R-pac

17. (r)-acetylphenylcarbinol

18. 2-propanone,1-hydroxy-1-phenyl-, (1r)-

19. (1r)-phenylacetylcarbinol

20. Ec 217-285-4

21. Schembl890219

22. (r)-(-)-phenylacetylcarbinol

23. Chebi:149671

24. Dtxsid601313240

25. D-(-)-phenylacetylcarbinol

26. Zinc1597413

27. Mfcd22414394

28. Akos027384464

29. D-(-)-1-hydroxy-1-phenylpropanone

30. 2-propanone, 1-hydroxy-1-phenyl-, (1r)-

31. (1r)-1-phenyl-1-hydroxypropan-2-one

32. D-(-)-1-phenyl-1-hydroxy-2-propanone

33. (-)-(1r)-1-hydroxy-1-phenyl-2-propanone

34. (-)-(1r)-1-hydroxy-1-phenylpropan-2-one

35. .alpha.-acetylbenzyl Alcohol [usp Impurity]

36. Q27268887

37. Ephedrine Hydrochloride Impurity A [ep Impurity]

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 150.17 g/mol
Molecular Formula C9H10O2
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068079557 g/mol
Monoisotopic Mass150.068079557 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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