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113847-95-3 | Phosphonic acid, P-[(oxidocyano)methyl]-, diethyl ester
CAS No: 113847-95-3 Catalog No: AG0009WJ MDL No:
Product Description
Catalog Number:
AG0009WJ
Chemical Name:
Phosphonic acid, P-[(oxidocyano)methyl]-, diethyl ester
CAS Number:
113847-95-3
IUPAC Name:
2-diethoxyphosphorylacetonitrile oxide
InChI:
InChI=1S/C6H12NO4P/c1-3-10-12(9,11-4-2)6-5-7-8/h3-4,6H2,1-2H3
InChI Key:
NWBNEAFHFBDGQR-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.139g/mol
Monoisotopic Mass:
193.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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