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89222-48-0 | Phosphonic acid, [1-hydroxy-3-(phenylthio)propyl]-, diethyl ester
CAS No: 89222-48-0 Catalog No: AG0044MB MDL No:
Product Description
Catalog Number:
AG0044MB
Chemical Name:
Phosphonic acid, [1-hydroxy-3-(phenylthio)propyl]-, diethyl ester
CAS Number:
89222-48-0
Molecular Formula:
C13H21O4PS
Molecular Weight:
304.3422
IUPAC Name:
1-diethoxyphosphoryl-3-phenylsulfanylpropan-1-ol
InChI:
InChI=1S/C13H21O4PS/c1-3-16-18(15,17-4-2)13(14)10-11-19-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
InChI Key:
QHVUZKBAJRPVRN-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(CCSc1ccccc1)O)OCC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.341g/mol
Monoisotopic Mass:
304.09g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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