CAS 490-64-2

Chemistry, 3 End Use API, 10 Related Intermediates

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Also known as: 490-64-2, Benzoic acid, 2,4,5-trimethoxy-, Asaronic acid, 9wdu77rbh9, Mfcd00002435, Asarylic acid

Molecular Formula

C₁₀H₁₂O₅

Molecular Weight

212.20 g/mol

InChI Key

KVZUCOGWKYOPID-UHFFFAOYSA-N

FDA UNII

9WDU77RBH9

2,4,5-trimethoxybenzoic acid is a natural product found in Alpinia flabellata with data available.

1 2D Structure

CAS 490-64-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4,5-trimethoxybenzoic acid

2.1.2 InChI

InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)

2.1.3 InChI Key

KVZUCOGWKYOPID-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=C(C=C1C(=O)O)OC)OC

2.2 Other Identifiers

2.2.1 UNII

9WDU77RBH9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Asaronic Acid

2.3.2 Depositor-Supplied Synonyms

1. 490-64-2

2. Benzoic Acid, 2,4,5-trimethoxy-

3. Asaronic Acid

4. 9wdu77rbh9

5. Mfcd00002435

6. Asarylic Acid

7. Calamonic Acid

8. Einecs 207-715-9

9. Ai3-38428

10. Unii-9wdu77rbh9

11. Schembl347214

12. 2,4,5-trimethoxy-benzoic Acid

13. Dtxsid4060076

14. Chebi:167419

15. Zinc388242

16. Bcp10509

17. Hy-y0586

18. 2,4,5-trimethoxybenzoic Acid, 99%

19. Akos000120293

20. Ac-23556

21. As-12059

22. Sy013542

23. Db-019816

24. Am20060636

25. Cs-0015360

26. Ft-0609814

27. T2627

28. F11250

29. 490t642

30. A827651

31. Q-200174

32. Q63409348

33. Z219997488

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₅
Molecular Weight	212.20 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	212.06847348 g/mol
Monoisotopic Mass	212.06847348 g/mol
Topological Polar Surface Area	65 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	218
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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Kimia Biosciences

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2,4,5-Trimethoxy Benzoic Acid

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490-64-2

End Use API

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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CAS Number

490-64-2

End Use API

Acotiamide

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Vihita Bio Chem is a rapidly growing and fully integrated company engaged in the manufacturing of drug in...

Vihita Bio Chem is a rapidly growing and fully integrated company engaged in the manufacturing of drug intermediates, specialty chemicals, and fine chemicals. Strategically located in Ankleshwar, the largest chemical zone in Asia, the company benefits from excellent connectivity through land and sea routes to major ports in India, facilitating efficient exports. As a fully integrated entity, Vihita Bio Chem has established itself as a key player in the production of drug intermediates and specialty chemicals. Its global presence underscores its commitment to meeting the demands of the pharmaceutical and chemical industries on a broad scale.

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