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89407-55-6 | Cyclohexanecarboxylic acid, 4-hexyl-, 4-(methylthio)phenyl ester, trans-
CAS No: 89407-55-6 Catalog No: AG003VWI MDL No:
Product Description
Catalog Number:
AG003VWI
Chemical Name:
Cyclohexanecarboxylic acid, 4-hexyl-, 4-(methylthio)phenyl ester, trans-
CAS Number:
89407-55-6
Molecular Formula:
C20H30O2S
Molecular Weight:
334.5160
IUPAC Name:
(4-methylsulfanylphenyl) 4-hexylcyclohexane-1-carboxylate
InChI:
InChI=1S/C20H30O2S/c1-3-4-5-6-7-16-8-10-17(11-9-16)20(21)22-18-12-14-19(23-2)15-13-18/h12-17H,3-11H2,1-2H3
InChI Key:
PDLIORWWODVHBU-UHFFFAOYSA-N
SMILES:
CCCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1)SC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.197g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.518g/mol
Monoisotopic Mass:
334.197g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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