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2088-72-4 | Acetic acid, 2-[(dimethoxyphosphinyl)thio]-, ethyl ester
CAS No: 2088-72-4 Catalog No: AG002JWT MDL No:
Product Description
Catalog Number:
AG002JWT
Chemical Name:
Acetic acid, 2-[(dimethoxyphosphinyl)thio]-, ethyl ester
CAS Number:
2088-72-4
Molecular Formula:
C6H13O5PS
Molecular Weight:
228.2032
IUPAC Name:
ethyl 2-dimethoxyphosphorylsulfanylacetate
InChI:
InChI=1S/C6H13O5PS/c1-4-11-6(7)5-13-12(8,9-2)10-3/h4-5H2,1-3H3
InChI Key:
LIXQYRZDAFGLSQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSP(=O)(OC)OC
UNII:
W97JUH3UIL
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.199g/mol
Monoisotopic Mass:
228.022g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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