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89588-04-5 | Butanethioic acid, 4-hydroxy-, S-(tetrahydro-2,5-dioxo-3-furanyl) ester
CAS No: 89588-04-5 Catalog No: AG003Z3J MDL No:
Product Description
Catalog Number:
AG003Z3J
Chemical Name:
Butanethioic acid, 4-hydroxy-, S-(tetrahydro-2,5-dioxo-3-furanyl) ester
CAS Number:
89588-04-5
Molecular Formula:
C8H10O5S
Molecular Weight:
218.2270
IUPAC Name:
S-(2,5-dioxooxolan-3-yl) 4-hydroxybutanethioate
InChI:
InChI=1S/C8H10O5S/c9-3-1-2-7(11)14-5-4-6(10)13-8(5)12/h5,9H,1-4H2
InChI Key:
ARNZQAWABFHYND-UHFFFAOYSA-N
SMILES:
OCCCC(=O)SC1CC(=O)OC1=O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.223g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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