CAS 13103-80-5

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Also known as: 13103-80-5, 1-(3-hydroxyphenyl)propan-1-one, 1-propanone, 1-(3-hydroxyphenyl)-, 1-(3-hydroxyphenyl)-1-propanone, 3/'-hydroxypropiophenone, A3vua549f9

Molecular Formula

C₉H₁₀O₂

Molecular Weight

150.17 g/mol

InChI Key

YXOGDBMOFMQLEU-UHFFFAOYSA-N

FDA UNII

A3VUA549F9

1 2D Structure

CAS 13103-80-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-hydroxyphenyl)propan-1-one

2.1.2 InChI

InChI=1S/C9H10O2/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3

2.1.3 InChI Key

YXOGDBMOFMQLEU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)C1=CC(=CC=C1)O

2.2 Other Identifiers

2.2.1 UNII

A3VUA549F9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 13103-80-5

2. 1-(3-hydroxyphenyl)propan-1-one

3. 1-propanone, 1-(3-hydroxyphenyl)-

4. 1-(3-hydroxyphenyl)-1-propanone

5. 3/'-hydroxypropiophenone

6. A3vua549f9

7. Mfcd03428514

8. Nsc-63366

9. 1-?(3-?hydroxyphenyl)?-?1-?propanone

10. (3-hydroxyphenyl)propan-1-one

11. Nsc63366

12. Einecs 236-027-1

13. 1-(3-hydroxy-phenyl)-propan-1-one

14. 3-hydroxyphenyl Ethyl Ketone

15. Unii-a3vua549f9

16. Schembl79656

17. 3'-hydroxypropiophenone

18. Chembl457730

19. Dtxsid60156855

20. Am721

21. Nsc 63366

22. Akos006277840

23. Cs-w018910

24. Ac-23112

25. Ds-13616

26. Sy047086

27. Db-028523

28. Ft-0600505

29. Ns00024142

30. 3 Inverted Exclamation Mark -hydroxypropiophenone

31. En300-2980529

32. A806187

33. W-108341

34. 3-hydroxy-1-phenyl-propan-1-one;1-(3-hydroxyphenyl)propan-1-one

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₂
Molecular Weight	150.17 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	11
Formal Charge	0
Complexity	143
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1