CAS 40834-42-2 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

CAS 40834-42-2
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 Weight 114.10 g/mol
Molecular Formula C5H6O3
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass114.031694049 g/mol
Monoisotopic Mass114.031694049 g/mol
Topological Polar Surface Area46.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty