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87762-80-9 | Phosphonic acid, [1-sulfinyl-2-(2,4,6-trimethylphenyl)ethyl]-, diethyl ester
CAS No: 87762-80-9 Catalog No: AG004IDL MDL No:
Product Description
Catalog Number:
AG004IDL
Chemical Name:
Phosphonic acid, [1-sulfinyl-2-(2,4,6-trimethylphenyl)ethyl]-, diethyl ester
CAS Number:
87762-80-9
Molecular Formula:
C15H23O4PS
Molecular Weight:
330.3795
IUPAC Name:
2-(2-diethoxyphosphoryl-2-sulfinylethyl)-1,3,5-trimethylbenzene
InChI:
InChI=1S/C15H23O4PS/c1-6-18-20(16,19-7-2)15(21-17)10-14-12(4)8-11(3)9-13(14)5/h8-9H,6-7,10H2,1-5H3
InChI Key:
MQUIJEQQPSUJSK-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(=S=O)Cc1c(C)cc(cc1C)C)OCC
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.379g/mol
Monoisotopic Mass:
330.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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