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19239-48-6 | Phosphoric acid, 1-cyanoethyl diethyl ester
CAS No: 19239-48-6 Catalog No: AG002FX2 MDL No:
Product Description
Catalog Number:
AG002FX2
Chemical Name:
Phosphoric acid, 1-cyanoethyl diethyl ester
CAS Number:
19239-48-6
Molecular Formula:
C7H14NO4P
Molecular Weight:
207.1641
IUPAC Name:
1-cyanoethyl diethyl phosphate
InChI:
InChI=1S/C7H14NO4P/c1-4-10-13(9,11-5-2)12-7(3)6-8/h7H,4-5H2,1-3H3
InChI Key:
BKZAGOCAPNLJCU-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OC(C#N)C)OCC
NSC Number:
220104
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.166g/mol
Monoisotopic Mass:
207.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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