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84040-12-0 | Cyclohexanone, 2-(hexylthio)-
CAS No: 84040-12-0 Catalog No: AG0050L6 MDL No:
Product Description
Catalog Number:
AG0050L6
Chemical Name:
Cyclohexanone, 2-(hexylthio)-
CAS Number:
84040-12-0
Molecular Formula:
C12H22OS
Molecular Weight:
214.3675
IUPAC Name:
2-hexylsulfanylcyclohexan-1-one
InChI:
InChI=1S/C12H22OS/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13/h12H,2-10H2,1H3
InChI Key:
YLEBIMJPMTWBKM-UHFFFAOYSA-N
SMILES:
CCCCCCSC1CCCCC1=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.139g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.367g/mol
Monoisotopic Mass:
214.139g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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