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88491-12-7 | Cyclohexanone, 2-methyl-6-(methylthio)-
CAS No: 88491-12-7 Catalog No: AG0049AT MDL No:
Product Description
Catalog Number:
AG0049AT
Chemical Name:
Cyclohexanone, 2-methyl-6-(methylthio)-
CAS Number:
88491-12-7
Molecular Formula:
C8H14OS
Molecular Weight:
158.2612
IUPAC Name:
2-methyl-6-methylsulfanylcyclohexan-1-one
InChI:
InChI=1S/C8H14OS/c1-6-4-3-5-7(10-2)8(6)9/h6-7H,3-5H2,1-2H3
InChI Key:
WRXCWDUKKKNXBT-UHFFFAOYSA-N
SMILES:
CSC1CCCC(C1=O)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.077g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.259g/mol
Monoisotopic Mass:
158.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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