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89817-01-6 | Cyclohexanone, 4-ethyl-2-(phenylthio)-
CAS No: 89817-01-6 Catalog No: AG003Z6N MDL No:
Product Description
Catalog Number:
AG003Z6N
Chemical Name:
Cyclohexanone, 4-ethyl-2-(phenylthio)-
CAS Number:
89817-01-6
Molecular Formula:
C14H18OS
Molecular Weight:
234.3571
IUPAC Name:
4-ethyl-2-phenylsulfanylcyclohexan-1-one
InChI:
InChI=1S/C14H18OS/c1-2-11-8-9-13(15)14(10-11)16-12-6-4-3-5-7-12/h3-7,11,14H,2,8-10H2,1H3
InChI Key:
WHRFPOLNCJUCMA-UHFFFAOYSA-N
SMILES:
CCC1CCC(=O)C(C1)Sc1ccccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.357g/mol
Monoisotopic Mass:
234.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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