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13504-83-1 | Ethyl 2-Cyano-2-(diethoxyphosphoryl)acetate
CAS No: 13504-83-1 Catalog No: AG01FLK6 MDL No:
Product Description
Catalog Number:
AG01FLK6
Chemical Name:
Ethyl 2-Cyano-2-(diethoxyphosphoryl)acetate
CAS Number:
13504-83-1
IUPAC Name:
ethyl 2-cyano-2-diethoxyphosphorylacetate
InChI:
InChI=1S/C9H16NO5P/c1-4-13-9(11)8(7-10)16(12,14-5-2)15-6-3/h8H,4-6H2,1-3H3
InChI Key:
JOTATBARTLVDCQ-UHFFFAOYSA-N
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.203g/mol
Monoisotopic Mass:
249.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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