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115026-48-7 | 1-Propanone, 1-(4,4-dimethyl-2-thioxo-3-oxazolidinyl)-
CAS No: 115026-48-7 Catalog No: AG000FPF MDL No:
Product Description
Catalog Number:
AG000FPF
Chemical Name:
1-Propanone, 1-(4,4-dimethyl-2-thioxo-3-oxazolidinyl)-
CAS Number:
115026-48-7
Molecular Formula:
C8H13NO2S
Molecular Weight:
187.2593
IUPAC Name:
1-(4,4-dimethyl-2-sulfanylidene-1,3-oxazolidin-3-yl)propan-1-one
InChI:
InChI=1S/C8H13NO2S/c1-4-6(10)9-7(12)11-5-8(9,2)3/h4-5H2,1-3H3
InChI Key:
NMGNYYDTJVETPK-UHFFFAOYSA-N
SMILES:
CCC(=O)N1C(=S)OCC1(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.257g/mol
Monoisotopic Mass:
187.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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