CAS 40665-68-7

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2 Suppliers, 2 End Use APIs, 6 Related Intermediates

2 Suppliers
2 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 40665-68-7, Dimethyl (2-oxo-3-phenoxypropyl)phosphonate, Dimethyl(3-phenoxy-2-oxopropyl)phosphonate, 1-dimethoxyphosphoryl-3-phenoxypropan-2-one, Dimethyl (3-phenoxyacetonyl)phosphonate, Phosphonic acid, (2-oxo-3-phenoxypropyl)-, dimethyl ester

Molecular Formula

C₁₁H₁₅O₅P

Molecular Weight

258.21 g/mol

InChI Key

NQTSTBMCCAVWOS-UHFFFAOYSA-N

1 2D Structure

CAS 40665-68-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-dimethoxyphosphoryl-3-phenoxypropan-2-one

2.1.2 InChI

InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-10(12)8-16-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3

2.1.3 InChI Key

NQTSTBMCCAVWOS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COP(=O)(CC(=O)COC1=CC=CC=C1)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 40665-68-7

2. Dimethyl (2-oxo-3-phenoxypropyl)phosphonate

3. Dimethyl(3-phenoxy-2-oxopropyl)phosphonate

4. 1-dimethoxyphosphoryl-3-phenoxypropan-2-one

5. Dimethyl (3-phenoxyacetonyl)phosphonate

6. Phosphonic Acid, (2-oxo-3-phenoxypropyl)-, Dimethyl Ester

7. Dimethyl (3-phenoxy-2-oxoproyl)phosphonate

8. Saed

9. Schembl244446

10. (2-oxo-3-phenoxypropyl)phosphonic Acid Dimethyl Ester

11. (2-oxo-3-phenoxy-propyl)-phosphonic Acid Dimethyl Ester

12. Dtxsid30342248

13. Act09694

14. Amy22160

15. Bcp15047

16. Zinc2539327

17. Mfcd00010225

18. Dimethyl(3-phenoxyacetonyl)phosphonate

19. Akos015891031

20. Ac-24771

21. As-65432

22. Cs-0317869

23. D4408

24. Dimethyl 2-oxo-3-phenoxypropylphosphonate #

25. Ft-0735838

26. Dimethyl-(3-phenoxy-2-oxopropyl)-phosphonate

27. (3-phenoxyacetonyl)phosphonic Acid Dimethyl Ester

28. 665d687

29. A873256

30. Dimethyl (3-phenoxy-2-oxopropyl)phosphonate

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅O₅P
Molecular Weight	258.21 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	258.06571057 g/mol
Monoisotopic Mass	258.06571057 g/mol
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	278
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