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89222-51-5 | Phosphonic acid, [1-hydroxy-3-[(1-methylethyl)thio]propyl]-, diethyl ester
CAS No: 89222-51-5 Catalog No: AG0044MA MDL No:
Product Description
Catalog Number:
AG0044MA
Chemical Name:
Phosphonic acid, [1-hydroxy-3-[(1-methylethyl)thio]propyl]-, diethyl ester
CAS Number:
89222-51-5
Molecular Formula:
C10H23O4PS
Molecular Weight:
270.3260
IUPAC Name:
1-diethoxyphosphoryl-3-propan-2-ylsulfanylpropan-1-ol
InChI:
InChI=1S/C10H23O4PS/c1-5-13-15(12,14-6-2)10(11)7-8-16-9(3)4/h9-11H,5-8H2,1-4H3
InChI Key:
AERCKEZKQQWIJS-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(CCSC(C)C)O)OCC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.324g/mol
Monoisotopic Mass:
270.105g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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