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261958-75-2 | Phosphonic acid, [2-(3-pyridinyl)ethyl]-, diethyl ester (9CI)
CAS No: 261958-75-2 Catalog No: AG002S7W MDL No:
Product Description
Catalog Number:
AG002S7W
Chemical Name:
Phosphonic acid, [2-(3-pyridinyl)ethyl]-, diethyl ester (9CI)
CAS Number:
261958-75-2
Molecular Formula:
C11H18NO3P
Molecular Weight:
243.2393
IUPAC Name:
3-(2-diethoxyphosphorylethyl)pyridine
InChI:
InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-7-11-6-5-8-12-10-11/h5-6,8,10H,3-4,7,9H2,1-2H3
InChI Key:
VVJAMGPWZVEKAL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CCc1cccnc1)OCC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.243g/mol
Monoisotopic Mass:
243.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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