CAS 40834-42-2

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 40834-42-2, 5-hydroxy-4-methyl-2(5h)furanone, 5-hydroxy-4-methyl-2(5h)-furanone, 2-hydroxy-3-methyl-2h-furan-5-one, 2(5h)-furanone, 5-hydroxy-4-methyl-, 5-hydroxy-4-methyl-2,5-dihydrofuran-2-one

Molecular Formula

C₅H₆O₃

Molecular Weight

114.10 g/mol

InChI Key

XRNPHZPFAWLRNJ-UHFFFAOYSA-N

1 2D Structure

CAS 40834-42-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxy-3-methyl-2H-furan-5-one

2.1.2 InChI

InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,5,7H,1H3

2.1.3 InChI Key

XRNPHZPFAWLRNJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=O)OC1O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 40834-42-2

2. 5-hydroxy-4-methyl-2(5h)furanone

3. 5-hydroxy-4-methyl-2(5h)-furanone

4. 2-hydroxy-3-methyl-2h-furan-5-one

5. 2(5h)-furanone, 5-hydroxy-4-methyl-

6. 5-hydroxy-4-methyl-2,5-dihydrofuran-2-one

7. Mfcd07782086

8. 5-hydroxy-4-methyl-2[5h]-furanone

9. 5-hydroxy-4-methyl-5h-furan-2-one

10. 4-methyl-5-hydroxy-2(5h)-furanone

11. Ec 609-869-6

12. Schembl363396

13. 4-hydroxy-3-methylbut-2-enolide

14. Dtxsid30961251

15. Act02807

16. Amy11083

17. Bcp22811

18. Ac-505

19. Geo-03047

20. 4-methyl-5-hydroxyfuran-2(5h)-one

21. Akos006284931

22. Bcp9000185

23. Ds-1694

24. Sb40605

25. Sy104829

26. Db-029160

27. Cs-0050459

28. Ft-0601904

29. 834h422

30. A825305

31. J-509619

32. 2(5h)-furanone, 5-hydroxy-4-methyl (intermediates Of Isotretinoin)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₆O₃
Molecular Weight	114.10 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	114.031694049 g/mol
Monoisotopic Mass	114.031694049 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	148
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

40834-42-2

Intermediate Name

5-Hydroxy-4-methylfuran-2(5H)-one

About the Company

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmac...

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmaceutical intermediates and other chemicals, with production bases in Huzhou, Yuhang and Jiande. Our first factory is located in Tangxi Industrial Park of Yuhang District in Hangzhou city, with over 110,000 sqm of lands. There are independent R&D team and well-trained workforces in our company. Well-known for complete production equipments, advanced production methods and a full suite of inspection facilities, we develop, design and produce independently. In collaboration with laboratories of Zhejiang University

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