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14540-36-4 | Phosphoric acid, 1-cyano-1-methylethyl diethyl ester
CAS No: 14540-36-4 Catalog No: AG001KV5 MDL No:
Product Description
Catalog Number:
AG001KV5
Chemical Name:
Phosphoric acid, 1-cyano-1-methylethyl diethyl ester
CAS Number:
14540-36-4
Molecular Formula:
C8H16NO4P
Molecular Weight:
221.1907
IUPAC Name:
2-cyanopropan-2-yl diethyl phosphate
InChI:
InChI=1S/C8H16NO4P/c1-5-11-14(10,12-6-2)13-8(3,4)7-9/h5-6H2,1-4H3
InChI Key:
OMOGWHBGYSIUKX-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OC(C#N)(C)C)OCC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.193g/mol
Monoisotopic Mass:
221.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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