CAS 1798-60-3

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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2 Intermediates

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Chemistry

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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

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 Formula	C₉H₁₀O₂
Molecular Weight	150.17 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557 g/mol
Monoisotopic Mass	150.068079557 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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