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Technical details about 4CH-015608, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 37951-49-8, 1-(3-methoxyphenyl)propan-1-one, 1-propanone, 1-(3-methoxyphenyl)-, 1-(3-methoxy-phenyl)-propan-1-one, 1-(3-methoxyphenyl)-1-propanone, 3'-methoxypropiophenon
Molecular Formula
C10H12O2
Molecular Weight
164.20  g/mol
InChI Key
LPDJHUUWTGXTCU-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3-methoxyphenyl)propan-1-one
2.1.2 InChI
InChI=1S/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
2.1.3 InChI Key
LPDJHUUWTGXTCU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)C1=CC(=CC=C1)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 37951-49-8

2. 1-(3-methoxyphenyl)propan-1-one

3. 1-propanone, 1-(3-methoxyphenyl)-

4. 1-(3-methoxy-phenyl)-propan-1-one

5. 1-(3-methoxyphenyl)-1-propanone

6. 3'-methoxypropiophenon

7. Einecs 253-729-3

8. 3`-methoxypropiophenone

9. 3-methoxyphenyl Ethyl Ketone

10. Schembl733307

11. Amy3962

12. Dtxsid80191389

13. Bcp21927

14. Mfcd08458823

15. Zinc32172004

16. 1-(3-methoxyphenyl)-1-propanone #

17. Akos010015726

18. 1-[3-(methyloxy)phenyl]-1-propanone

19. Gs-4370

20. Sy030430

21. Cs-0005775

22. Ft-0650399

23. En300-84052

24. 3 Inverted Exclamation Mark -methoxypropiophenone

25. A823948

26. J-512800

27. Z1258578231

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 164.20 g/mol
Molecular Formula C10H12O2
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621 g/mol
Monoisotopic Mass164.083729621 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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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