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189104-50-5 | Phenol, 2-(1,1-dimethylethyl)-4-(1,1,2,2-tetramethylpropyl)-
CAS No: 189104-50-5 Catalog No: AG002HVR MDL No:
Product Description
Catalog Number:
AG002HVR
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-4-(1,1,2,2-tetramethylpropyl)-
CAS Number:
189104-50-5
Molecular Formula:
C17H28O
Molecular Weight:
248.4036
IUPAC Name:
2-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)phenol
InChI:
InChI=1S/C17H28O/c1-15(2,3)13-11-12(9-10-14(13)18)17(7,8)16(4,5)6/h9-11,18H,1-8H3
InChI Key:
MWLRVSLSWSTDBT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(C)(C)C)C(C(C)(C)C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.41g/mol
Monoisotopic Mass:
248.214g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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