CAS 37951-49-8

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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

CAS 37951-49-8

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 Formula	C₁₀H₁₂O₂
Molecular Weight	164.20 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.083729621 g/mol
Monoisotopic Mass	164.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154
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