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CAS 61260-15-9 manufacturers and suppliers on PharmaCompass

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CAS 61260-15-9
Also known as: 61260-15-9, Dimethyl 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonate, 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid, 3-dimethoxyphosphoryl-3h-2-benzofuran-1-one, Mfcd16883476, 3-dimethoxyphosphoryl-3h-isobenzofuran-1-one
Molecular Formula
C10H11O5P
Molecular Weight
242.16  g/mol
InChI Key
KEKUNQAVGWOYDW-UHFFFAOYSA-N

1 2D Structure

CAS 61260-15-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-dimethoxyphosphoryl-3H-2-benzofuran-1-one
2.1.2 InChI
InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3
2.1.3 InChI Key
KEKUNQAVGWOYDW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COP(=O)(C1C2=CC=CC=C2C(=O)O1)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 61260-15-9

2. Dimethyl 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonate

3. 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic Acid

4. 3-dimethoxyphosphoryl-3h-2-benzofuran-1-one

5. Mfcd16883476

6. 3-dimethoxyphosphoryl-3h-isobenzofuran-1-one

7. Schembl1689399

8. Dimethyl(3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate

9. Dtxsid60455870

10. Amy38601

11. Cs-m0104

12. Akos016003673

13. Ac-29317

14. As-68381

15. Sy047475

16. Dimethyl 3-oxobenzo[c]furan-1-ylphosphonate

17. Ft-0699562

18. A857975

19. Dimethyl 3-oxo-1,3,-dihydroisobenzofuran-1-ylphosphonate

20. Dimethyl 3-oxo-1,3-dihydro-2-benzofuran-1-ylphosphonate

21. Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate

22. (1,3-dihydro-3-oxoisobenzofuran-1-yl)phosphonic Acid Dimethyl Ester

23. (3-oxo-1,3-dihydro-isobenzofuran-1-yl) Phosphonic Acid Dimethyl Ester

24. (3-oxo-1,3-dihydro-isobenzofuran-1-yl)-phosphonic Acid Dimethyl Ester

25. (3-oxo-1,3-dihydro-isobenzofuran-1-yl)phosphonic Acid Dimethyl Ester

26. (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic Acid Dimethyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 242.16 g/mol
Molecular Formula C10H11O5P
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass242.03441044 g/mol
Monoisotopic Mass242.03441044 g/mol
Topological Polar Surface Area61.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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