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101259-76-1 | Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester (9CI)
CAS No: 101259-76-1 Catalog No: AG00042W MDL No:
Product Description
Catalog Number:
AG00042W
Chemical Name:
Phosphonic acid, [2-(2-pyridinyl)ethyl]-, dibutyl ester (9CI)
CAS Number:
101259-76-1
Molecular Formula:
C15H26NO3P
Molecular Weight:
299.3456
IUPAC Name:
2-(2-dibutoxyphosphorylethyl)pyridine
InChI:
InChI=1S/C15H26NO3P/c1-3-5-12-18-20(17,19-13-6-4-2)14-10-15-9-7-8-11-16-15/h7-9,11H,3-6,10,12-14H2,1-2H3
InChI Key:
CQQAISAEEDZQHF-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(CCc1ccccn1)OCCCC
NSC Number:
14516
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.165g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.351g/mol
Monoisotopic Mass:
299.165g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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