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80578-89-8 | Propanoic acid, 3-[[bis(1-methylethoxy)phosphinothioyl]thio]-
CAS No: 80578-89-8 Catalog No: AG005KEZ MDL No:
Product Description
Catalog Number:
AG005KEZ
Chemical Name:
Propanoic acid, 3-[[bis(1-methylethoxy)phosphinothioyl]thio]-
CAS Number:
80578-89-8
Molecular Formula:
C9H19O4PS2
Molecular Weight:
286.3485
IUPAC Name:
3-di(propan-2-yloxy)phosphinothioylsulfanylpropanoic acid
InChI:
InChI=1S/C9H19O4PS2/c1-7(2)12-14(15,13-8(3)4)16-6-5-9(10)11/h7-8H,5-6H2,1-4H3,(H,10,11)
InChI Key:
NBIHIFKBZOUVNM-UHFFFAOYSA-N
SMILES:
CC(OP(=S)(OC(C)C)SCCC(=O)O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.341g/mol
Monoisotopic Mass:
286.046g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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