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88252-41-9 | Phosphinothioic acid, (1-hydroxy-1-methylethyl)phenyl-, S-propyl ester
CAS No: 88252-41-9 Catalog No: AG004AXV MDL No:
Product Description
Catalog Number:
AG004AXV
Chemical Name:
Phosphinothioic acid, (1-hydroxy-1-methylethyl)phenyl-, S-propyl ester
CAS Number:
88252-41-9
Molecular Formula:
C12H19O2PS
Molecular Weight:
258.3168
IUPAC Name:
2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol
InChI:
InChI=1S/C12H19O2PS/c1-4-10-16-15(14,12(2,3)13)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3
InChI Key:
HZBHRWPRJXLELJ-UHFFFAOYSA-N
SMILES:
CCCSP(=O)(C(O)(C)C)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.316g/mol
Monoisotopic Mass:
258.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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