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116794-14-0 | Phenol, 4-(trans-4-octylcyclohexyl)-
CAS No: 116794-14-0 Catalog No: AG000D7Z MDL No:
Product Description
Catalog Number:
AG000D7Z
Chemical Name:
Phenol, 4-(trans-4-octylcyclohexyl)-
CAS Number:
116794-14-0
Molecular Formula:
C20H32O
Molecular Weight:
288.4675
IUPAC Name:
4-(4-octylcyclohexyl)phenol
InChI:
InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21)16-14-19/h13-18,21H,2-12H2,1H3
InChI Key:
YVSPOVVMQAYGMJ-UHFFFAOYSA-N
SMILES:
CCCCCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.245g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.475g/mol
Monoisotopic Mass:
288.245g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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