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88707-62-4 | Phosphonic acid, [1-(phenylthio)ethenyl]-, dimethyl ester
CAS No: 88707-62-4 Catalog No: AG0046GF MDL No:
Product Description
Catalog Number:
AG0046GF
Chemical Name:
Phosphonic acid, [1-(phenylthio)ethenyl]-, dimethyl ester
CAS Number:
88707-62-4
Molecular Formula:
C10H13O3PS
Molecular Weight:
244.2472
IUPAC Name:
1-dimethoxyphosphorylethenylsulfanylbenzene
InChI:
InChI=1S/C10H13O3PS/c1-9(14(11,12-2)13-3)15-10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChI Key:
IIKQUAAFSUVBAB-UHFFFAOYSA-N
SMILES:
COP(=O)(C(=C)Sc1ccccc1)OC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.245g/mol
Monoisotopic Mass:
244.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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