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78996-27-7 | dimethyl{2-[(4-methylphenyl)sulfonyl]ethenyl}phosphonate
CAS No: 78996-27-7 Catalog No: AG005CKQ MDL No:
Product Description
Catalog Number:
AG005CKQ
Chemical Name:
dimethyl{2-[(4-methylphenyl)sulfonyl]ethenyl}phosphonate
CAS Number:
78996-27-7
Molecular Formula:
C11H15O5PS
Molecular Weight:
290.2726
IUPAC Name:
1-(2-dimethoxyphosphorylethenylsulfonyl)-4-methylbenzene
InChI:
InChI=1S/C11H15O5PS/c1-10-4-6-11(7-5-10)18(13,14)9-8-17(12,15-2)16-3/h4-9H,1-3H3
InChI Key:
HTPAOFAQVTXXHE-UHFFFAOYSA-N
SMILES:
COP(=O)(C=CS(=O)(=O)c1ccc(cc1)C)OC
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.27g/mol
Monoisotopic Mass:
290.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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