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89747-94-4 | Cyclohexanone, 2-(butylsulfonyl)-
CAS No: 89747-94-4 Catalog No: AG004144 MDL No:
Product Description
Catalog Number:
AG004144
Chemical Name:
Cyclohexanone, 2-(butylsulfonyl)-
CAS Number:
89747-94-4
Molecular Formula:
C10H18O3S
Molecular Weight:
218.3131
IUPAC Name:
2-butylsulfonylcyclohexan-1-one
InChI:
InChI=1S/C10H18O3S/c1-2-3-8-14(12,13)10-7-5-4-6-9(10)11/h10H,2-8H2,1H3
InChI Key:
LWFVLPAEELXPIP-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)C1CCCCC1=O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.311g/mol
Monoisotopic Mass:
218.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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