CAS 61260-15-9

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3 End Use APIs
26 Related Intermediates

Chemistry

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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 Formula	C₁₀H₁₁O₅P
Molecular Weight	242.16 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	242.03441044 g/mol
Monoisotopic Mass	242.03441044 g/mol
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	321
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