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828288-76-2 | Phenol, 4-cyclooctyl-3-methyl-
CAS No: 828288-76-2 Catalog No: AG004WXV MDL No:
Product Description
Catalog Number:
AG004WXV
Chemical Name:
Phenol, 4-cyclooctyl-3-methyl-
CAS Number:
828288-76-2
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
4-cyclooctyl-3-methylphenol
InChI:
InChI=1S/C15H22O/c1-12-11-14(16)9-10-15(12)13-7-5-3-2-4-6-8-13/h9-11,13,16H,2-8H2,1H3
InChI Key:
AMZHWAYCNPBOGK-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C)C1CCCCCCC1
Properties
Complexity:
194
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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