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Also known as: 1131-52-8, Benzaldehyde, 3-ethoxy-4-methoxy-, Mfcd00010128, 3-ethoxy-4-methoxy-benzaldehyde, 3-ethoxy-p-anisaldehyde, 3-ethoxy-4-methoxy benzaldehyde
Molecular Formula
C10H12O3
Molecular Weight
180.20  g/mol
InChI Key
VAMZHXWLGRQSJS-UHFFFAOYSA-N

CAS 1131-52-8
1 2D Structure

CAS 1131-52-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-ethoxy-4-methoxybenzaldehyde
2.1.2 InChI
InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3
2.1.3 InChI Key
VAMZHXWLGRQSJS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=C(C=CC(=C1)C=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1131-52-8

2. Benzaldehyde, 3-ethoxy-4-methoxy-

3. Mfcd00010128

4. 3-ethoxy-4-methoxy-benzaldehyde

5. 3-ethoxy-p-anisaldehyde

6. 3-ethoxy-4-methoxy Benzaldehyde

7. Nsc55839

8. 3-ethoxy-4methoxybenzaldehyde

9. 3ethoxy-4-methoxybenzaldehyde

10. 3-ethoxy-4-methoxybenzaldehyd

11. Schembl754958

12. 4-methoxy-3-ethoxybenzaldehyde

13. Amy460

14. Vamzhxwlgrqsjs-uhfffaoysa-

15. Dtxsid90288436

16. Bcp09394

17. Cs-m2547

18. Str04189

19. Bbl015525

20. Nsc-55839

21. Stk013237

22. 3-ethoxy-4-methoxybenzaldehyde, 99%

23. Akos000120946

24. (3-ethoxy-4-methoxy-phenyl)-methanone

25. Ac-29738

26. Sy004271

27. Bb 0256993

28. E0835

29. Ft-0615627

30. En300-16146

31. A802734

32. J-002901

33. Z53837672

34. Inchi=1/c10h12o3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7h,3h2,1-2h3

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 180.20 g/mol
Molecular Formula C10H12O3
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.5
Heavy Atom Count13
Formal Charge0
Complexity158
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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