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89730-01-8 | 2-Cyclohexen-1-one, 6-(hexylsulfonyl)-
CAS No: 89730-01-8 Catalog No: AG0041XZ MDL No:
Product Description
Catalog Number:
AG0041XZ
Chemical Name:
2-Cyclohexen-1-one, 6-(hexylsulfonyl)-
CAS Number:
89730-01-8
Molecular Formula:
C12H20O3S
Molecular Weight:
244.3504
IUPAC Name:
6-hexylsulfonylcyclohex-2-en-1-one
InChI:
InChI=1S/C12H20O3S/c1-2-3-4-7-10-16(14,15)12-9-6-5-8-11(12)13/h5,8,12H,2-4,6-7,9-10H2,1H3
InChI Key:
NJBZZLROPMZDGT-UHFFFAOYSA-N
SMILES:
CCCCCCS(=O)(=O)C1CCC=CC1=O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.113g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.349g/mol
Monoisotopic Mass:
244.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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