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137756-29-7 | Ethanone, 2-(methylsulfinyl)-1-(tetrahydro-2-furanyl)-
CAS No: 137756-29-7 Catalog No: AG0013SU MDL No:
Product Description
Catalog Number:
AG0013SU
Chemical Name:
Ethanone, 2-(methylsulfinyl)-1-(tetrahydro-2-furanyl)-
CAS Number:
137756-29-7
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
IUPAC Name:
2-methylsulfinyl-1-(oxolan-2-yl)ethanone
InChI:
InChI=1S/C7H12O3S/c1-11(9)5-6(8)7-3-2-4-10-7/h7H,2-5H2,1H3
InChI Key:
UQZRSCVJLHSICJ-UHFFFAOYSA-N
SMILES:
CS(=O)CC(=O)C1CCCO1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.23g/mol
Monoisotopic Mass:
176.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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