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82518-32-9 | Phosphonic acid, [cyano(dimethylamino)methyl]-, diethyl ester
CAS No: 82518-32-9 Catalog No: AG0057O6 MDL No:
Product Description
Catalog Number:
AG0057O6
Chemical Name:
Phosphonic acid, [cyano(dimethylamino)methyl]-, diethyl ester
CAS Number:
82518-32-9
Molecular Formula:
C8H17N2O3P
Molecular Weight:
220.2059
IUPAC Name:
2-diethoxyphosphoryl-2-(dimethylamino)acetonitrile
InChI:
InChI=1S/C8H17N2O3P/c1-5-12-14(11,13-6-2)8(7-9)10(3)4/h8H,5-6H2,1-4H3
InChI Key:
PYPREJMJVYDFAD-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(N(C)C)C#N)OCC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.209g/mol
Monoisotopic Mass:
220.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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