CAS 5722-93-0

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2 End Use APIs
14 Related Intermediates

Chemistry

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Also known as: 5722-93-0, 2-hydroxy-4,5-dimethoxy benzoic acid, Mfcd19441387, Benzoic acid, 2-hydroxy-4,5-dimethoxy-, 2-hydroxy-4,5-dimethoxybenzoicacid, Schembl1038769

Molecular Formula

C₉H₁₀O₅

Molecular Weight

198.17 g/mol

InChI Key

RUBXSZYVSFYJQR-UHFFFAOYSA-N

1 2D Structure

CAS 5722-93-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxy-4,5-dimethoxybenzoic acid

2.1.2 InChI

InChI=1S/C9H10O5/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4,10H,1-2H3,(H,11,12)

2.1.3 InChI Key

RUBXSZYVSFYJQR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5722-93-0

2. 2-hydroxy-4,5-dimethoxy Benzoic Acid

3. Mfcd19441387

4. Benzoic Acid, 2-hydroxy-4,5-dimethoxy-

5. 2-hydroxy-4,5-dimethoxybenzoicacid

6. Schembl1038769

7. Dtxsid00468661

8. Rubxszyvsfyjqr-uhfffaoysa-n

9. Amy28722

10. Bcp30013

11. Akos016005438

12. Ac-31741

13. Ds-18342

14. Sy113018

15. Cs-0112841

16. Ft-0754708

17. F14656

18. En300-2845859

19. 4,5-dimethoxysalicylic Acid;acotiamide Impurity K

20. A869737

21. Z1251415456

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₅
Molecular Weight	198.17 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	76
Heavy Atom Count	14
Formal Charge	0
Complexity	205
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