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91521-56-1 | Phosphonic acid, [2-oxo-3-(8-quinolinyloxy)propyl]-, diethyl ester
CAS No: 91521-56-1 Catalog No: AG006LDY MDL No:
Product Description
Catalog Number:
AG006LDY
Chemical Name:
Phosphonic acid, [2-oxo-3-(8-quinolinyloxy)propyl]-, diethyl ester
CAS Number:
91521-56-1
Molecular Formula:
C16H20NO5P
Molecular Weight:
337.3075
IUPAC Name:
1-diethoxyphosphoryl-3-quinolin-8-yloxypropan-2-one
InChI:
InChI=1S/C16H20NO5P/c1-3-21-23(19,22-4-2)12-14(18)11-20-15-9-5-7-13-8-6-10-17-16(13)15/h5-10H,3-4,11-12H2,1-2H3
InChI Key:
XEHUJCWXKJCIRH-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)COc1cccc2c1nccc2)OCC
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.312g/mol
Monoisotopic Mass:
337.108g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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