CAS 708-76-9

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Also known as: 708-76-9, 2-hydroxy-4,6-dimethoxybenzaldehyde, 4,6-dimethoxy-2-hydroxybenzaldehyde, Benzaldehyde, 2-hydroxy-4,6-dimethoxy-, 2,4-dimethoxy-6-hydroxybenzaldehyde, Mfcd00003328

Molecular Formula

C₉H₁₀O₄

Molecular Weight

182.17 g/mol

InChI Key

FQRQWPNYJOFDLO-UHFFFAOYSA-N

FDA UNII

8AQ22EXM7G

1 2D Structure

CAS 708-76-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxy-4,6-dimethoxybenzaldehyde

2.1.2 InChI

InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3

2.1.3 InChI Key

FQRQWPNYJOFDLO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=C(C(=C1)OC)C=O)O

2.2 Other Identifiers

2.2.1 UNII

8AQ22EXM7G

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 708-76-9

2. 2-hydroxy-4,6-dimethoxybenzaldehyde

3. 4,6-dimethoxy-2-hydroxybenzaldehyde

4. Benzaldehyde, 2-hydroxy-4,6-dimethoxy-

5. 2,4-dimethoxy-6-hydroxybenzaldehyde

6. Mfcd00003328

7. 8aq22exm7g

8. 2-formyl-3,5-dimethoxyphenol

9. Einecs 211-904-1

10. 2-hydroxy-4,6-bis(methyloxy)benzaldehyde

11. Unii-8aq22exm7g

12. Schembl829755

13. Chembl3660367

14. Dtxsid3022110

15. Bdbm111035

16. Amy31146

17. 4,6-dimethoxysalicylaldehyde, 98%

18. 4,6-dimethoxysalicylaldehyde (4,6-dimethoxy-2-hydroxybenzaldehyde)

19. 4,6-dimethoxy-2-hydroxy-benzaldehyde

20. Akos009156386

21. Cs-w005297

22. Salicylaldehyde, 4,6-dimethoxy-

23. Ac-30645

24. As-11337

25. Bp-10727

26. Sy027374

27. Db-055461

28. A9318

29. D4165

30. Ns00037122

31. En300-193140

32. 10.14272/fqrqwpnyjofdlo-uhfffaoysa-n.1

33. Doi:10.14272/fqrqwpnyjofdlo-uhfffaoysa-n.1

34. J-514163

35. Us8614253, .3-66

36. Z1255464954

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₄
Molecular Weight	182.17 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55.8
Heavy Atom Count	13
Formal Charge	0
Complexity	171
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

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