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88170-50-7 | 2-Butene, 1-(ethylsulfinyl)-
CAS No: 88170-50-7 Catalog No: AG004CL0 MDL No:
Product Description
Catalog Number:
AG004CL0
Chemical Name:
2-Butene, 1-(ethylsulfinyl)-
CAS Number:
88170-50-7
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
IUPAC Name:
1-ethylsulfinylbut-2-ene
InChI:
InChI=1S/C6H12OS/c1-3-5-6-8(7)4-2/h3,5H,4,6H2,1-2H3
InChI Key:
BTUFWWJPKKKZTK-UHFFFAOYSA-N
SMILES:
CC=CCS(=O)CC
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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