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266338-26-5 | Phenol, 2-[4-(1,1-dimethylethyl)cyclohexyl]-
CAS No: 266338-26-5 Catalog No: AG002TW4 MDL No:
Product Description
Catalog Number:
AG002TW4
Chemical Name:
Phenol, 2-[4-(1,1-dimethylethyl)cyclohexyl]-
CAS Number:
266338-26-5
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
2-(4-tert-butylcyclohexyl)phenol
InChI:
InChI=1S/C16H24O/c1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17/h4-7,12-13,17H,8-11H2,1-3H3
InChI Key:
ZAUUKYWMTKQRFE-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C1CCC(CC1)C(C)(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.367g/mol
Monoisotopic Mass:
232.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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