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83011-80-7 | Cyclohexanol, 2,6-dimethyl-3-(4-methylphenyl)-
CAS No: 83011-80-7 Catalog No: AG004YGJ MDL No:
Product Description
Catalog Number:
AG004YGJ
Chemical Name:
Cyclohexanol, 2,6-dimethyl-3-(4-methylphenyl)-
CAS Number:
83011-80-7
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
2,6-dimethyl-3-(4-methylphenyl)cyclohexan-1-ol
InChI:
InChI=1S/C15H22O/c1-10-4-7-13(8-5-10)14-9-6-11(2)15(16)12(14)3/h4-5,7-8,11-12,14-16H,6,9H2,1-3H3
InChI Key:
OQBCWDFOWKBJQR-UHFFFAOYSA-N
SMILES:
CC1CCC(C(C1O)C)c1ccc(cc1)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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