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807-24-9 | Cyclohexanol, 4,4-diphenyl-, 4-methylbenzenesulfonate
CAS No: 807-24-9 Catalog No: AG005JRG MDL No:
Product Description
Catalog Number:
AG005JRG
Chemical Name:
Cyclohexanol, 4,4-diphenyl-, 4-methylbenzenesulfonate
CAS Number:
807-24-9
Molecular Formula:
C25H28O4S
Molecular Weight:
424.5524
IUPAC Name:
4,4-diphenylcyclohexan-1-ol;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C18H20O.C7H8O3S/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17,19H,11-14H2;2-5H,1H3,(H,8,9,10)
InChI Key:
YDOBFQIPVBGDRR-UHFFFAOYSA-N
SMILES:
OC1CCC(CC1)(c1ccccc1)c1ccccc1.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.171g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.555g/mol
Monoisotopic Mass:
424.171g/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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