CAS 1131-52-8

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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

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 Formula	C₁₀H₁₂O₃
Molecular Weight	180.20 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.5
Heavy Atom Count	13
Formal Charge	0
Complexity	158
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