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87762-98-9 | Phosphonic acid, [(methylsulfinyl)phenylmethyl]-, diethyl ester
CAS No: 87762-98-9 Catalog No: AG004FL7 MDL No:
Product Description
Catalog Number:
AG004FL7
Chemical Name:
Phosphonic acid, [(methylsulfinyl)phenylmethyl]-, diethyl ester
CAS Number:
87762-98-9
Molecular Formula:
C12H19O4PS
Molecular Weight:
290.3156
IUPAC Name:
[diethoxyphosphoryl(methylsulfinyl)methyl]benzene
InChI:
InChI=1S/C12H19O4PS/c1-4-15-17(13,16-5-2)12(18(3)14)11-9-7-6-8-10-11/h6-10,12H,4-5H2,1-3H3
InChI Key:
JBFMXACFTWESOL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccccc1)S(=O)C)OCC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.314g/mol
Monoisotopic Mass:
290.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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