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Also known as: 5803-30-5, 1-(2,5-dimethoxyphenyl)propan-1-one, 2,5-dimethoxypropiophenone, 1-propanone, 1-(2,5-dimethoxyphenyl)-, Propiophenone, 2',5'-dimethoxy-, Lk97f4859q
Molecular Formula
C11H14O3
Molecular Weight
194.23  g/mol
InChI Key
DKVCHMQHUMLKPO-UHFFFAOYSA-N
FDA UNII
LK97F4859Q

CAS 5803-30-5
1 2D Structure

CAS 5803-30-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2,5-dimethoxyphenyl)propan-1-one
2.1.2 InChI
InChI=1S/C11H14O3/c1-4-10(12)9-7-8(13-2)5-6-11(9)14-3/h5-7H,4H2,1-3H3
2.1.3 InChI Key
DKVCHMQHUMLKPO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)C1=C(C=CC(=C1)OC)OC
2.2 Other Identifiers
2.2.1 UNII
LK97F4859Q
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5803-30-5

2. 1-(2,5-dimethoxyphenyl)propan-1-one

3. 2,5-dimethoxypropiophenone

4. 1-propanone, 1-(2,5-dimethoxyphenyl)-

5. Propiophenone, 2',5'-dimethoxy-

6. Lk97f4859q

7. Brn 1945185

8. Einecs 227-357-7

9. 1-propanone, 1-(2,5-dimethoxyphenyl)- (9ci)

10. 2,5-dimethoxy Propiophenone

11. 4-08-00-01839 (beilstein Handbook Reference)

12. Unii-lk97f4859q

13. Schembl5743965

14. Dtxsid20206749

15. 1-(2,5-dimethoxyphenyl)propanone

16. Zinc397485

17. Akos000151717

18. 1-(2,5-dimethoxyphenyl)-1-propanone

19. 1-(2,5-dimethoxy-phenyl)-propan-1-one

20. 1-(2,5-dimethoxyphenyl)-1-propanone #

21. Ac-16573

22. Ac-30870

23. As-58839

24. Cs-0314683

25. D4817

26. Ft-0635860

27. N12466

28. W-105416

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 194.23 g/mol
Molecular Formula C11H14O3
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass194.094294304 g/mol
Monoisotopic Mass194.094294304 g/mol
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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