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89222-47-9 | Phosphonic acid, [1-hydroxy-3-(pentylthio)propyl]-, diethyl ester
CAS No: 89222-47-9 Catalog No: AG0043LO MDL No:
Product Description
Catalog Number:
AG0043LO
Chemical Name:
Phosphonic acid, [1-hydroxy-3-(pentylthio)propyl]-, diethyl ester
CAS Number:
89222-47-9
Molecular Formula:
C12H27O4PS
Molecular Weight:
298.3791
IUPAC Name:
1-diethoxyphosphoryl-3-pentylsulfanylpropan-1-ol
InChI:
InChI=1S/C12H27O4PS/c1-4-7-8-10-18-11-9-12(13)17(14,15-5-2)16-6-3/h12-13H,4-11H2,1-3H3
InChI Key:
YDZWRGFTYXDQQH-UHFFFAOYSA-N
SMILES:
CCCCCSCCC(P(=O)(OCC)OCC)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.378g/mol
Monoisotopic Mass:
298.137g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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