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2537-48-6 | Diethyl Cyanomethylphosphonate
CAS No: 2537-48-6 Catalog No: AG0034Q8 MDL No:MFCD00001893
Product Description
Catalog Number:
AG0034Q8
Chemical Name:
Diethyl Cyanomethylphosphonate
CAS Number:
2537-48-6
Molecular Formula:
C6H12NO3P
Molecular Weight:
177.1381
MDL Number:
MFCD00001893
IUPAC Name:
2-diethoxyphosphorylacetonitrile
InChI:
InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3
InChI Key:
KWMBADTWRIGGGG-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC#N)OCC
EC Number:
219-806-0
NSC Number:
407826
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.14g/mol
Monoisotopic Mass:
177.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Reactions of fullerenes with reactive methylene organophosphorus reagents: efficient synthesis of organophosphorus group substituted C60 and C70 derivatives. | The Journal of organic chemistry 20060317 |
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