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87090-92-4 | Cyclohexanemethanol, 4-phenyl-, 4-methylbenzenesulfonate, trans-
CAS No: 87090-92-4 Catalog No: AG004LKG MDL No:
Product Description
Catalog Number:
AG004LKG
Chemical Name:
Cyclohexanemethanol, 4-phenyl-, 4-methylbenzenesulfonate, trans-
CAS Number:
87090-92-4
Molecular Formula:
C20H26O4S
Molecular Weight:
362.4830
IUPAC Name:
4-methylbenzenesulfonic acid;(4-phenylcyclohexyl)methanol
InChI:
InChI=1S/C13H18O.C7H8O3S/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11,13-14H,6-10H2;2-5H,1H3,(H,8,9,10)
InChI Key:
FMNVYSSJBYUUET-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OC[C@@H]1CC[C@H](CC1)c1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.155g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.484g/mol
Monoisotopic Mass:
362.155g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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