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203310-42-3 | Acetonitrile, 2-(hexylsulfonyl)-
CAS No: 203310-42-3 Catalog No: AG0028T3 MDL No:MFCD00041475
Product Description
Catalog Number:
AG0028T3
Chemical Name:
Acetonitrile, 2-(hexylsulfonyl)-
CAS Number:
203310-42-3
Molecular Formula:
C8H15NO2S
Molecular Weight:
189.2752
MDL Number:
MFCD00041475
IUPAC Name:
2-hexylsulfonylacetonitrile
InChI:
InChI=1S/C8H15NO2S/c1-2-3-4-5-7-12(10,11)8-6-9/h2-5,7-8H2,1H3
InChI Key:
CGKSNJYMJMDPQT-UHFFFAOYSA-N
SMILES:
CCCCCCS(=O)(=O)CC#N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.273g/mol
Monoisotopic Mass:
189.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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