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52190-35-9 | 2-(Methylthio)cyclohexanone
CAS No: 52190-35-9 Catalog No: AG003F3K MDL No:MFCD00209603
Product Description
Catalog Number:
AG003F3K
Chemical Name:
2-(Methylthio)cyclohexanone
CAS Number:
52190-35-9
Molecular Formula:
C7H12OS
Molecular Weight:
144.2346
MDL Number:
MFCD00209603
IUPAC Name:
2-methylsulfanylcyclohexan-1-one
InChI:
InChI=1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChI Key:
QFABNUVNDKOIEH-UHFFFAOYSA-N
SMILES:
CSC1CCCCC1=O
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.061g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.232g/mol
Monoisotopic Mass:
144.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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