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188650-45-5 | Acetic acid, 2-[[methoxy(methylthio)phosphinyl]oxy]-, methyl ester
CAS No: 188650-45-5 Catalog No: AG002H2W MDL No:
Product Description
Catalog Number:
AG002H2W
Chemical Name:
Acetic acid, 2-[[methoxy(methylthio)phosphinyl]oxy]-, methyl ester
CAS Number:
188650-45-5
Molecular Formula:
C5H11O5PS
Molecular Weight:
214.1766
IUPAC Name:
methyl 2-[methoxy(methylsulfanyl)phosphoryl]oxyacetate
InChI:
InChI=1S/C5H11O5PS/c1-8-5(6)4-10-11(7,9-2)12-3/h4H2,1-3H3
InChI Key:
PLODWPPZGXQNRB-UHFFFAOYSA-N
SMILES:
COC(=O)COP(=O)(SC)OC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.172g/mol
Monoisotopic Mass:
214.006g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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