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88050-89-9 | 2(3H)-Furanone, dihydro-5-methoxy-4-[(1-methylethyl)thio]-, trans-
CAS No: 88050-89-9 Catalog No: AG004M1D MDL No:
Product Description
Catalog Number:
AG004M1D
Chemical Name:
2(3H)-Furanone, dihydro-5-methoxy-4-[(1-methylethyl)thio]-, trans-
CAS Number:
88050-89-9
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
IUPAC Name:
(4R,5R)-5-methoxy-4-propan-2-ylsulfanyloxolan-2-one
InChI:
InChI=1S/C8H14O3S/c1-5(2)12-6-4-7(9)11-8(6)10-3/h5-6,8H,4H2,1-3H3/t6-,8-/m1/s1
InChI Key:
KIVOZTSDRUFVGM-HTRCEHHLSA-N
SMILES:
CO[C@@H]1OC(=O)C[C@H]1SC(C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
190.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.257g/mol
Monoisotopic Mass:
190.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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