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139579-07-0 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-
CAS No: 139579-07-0 Catalog No: AG001BAN MDL No:
Product Description
Catalog Number:
AG001BAN
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-
CAS Number:
139579-07-0
Molecular Formula:
C26H38O
Molecular Weight:
366.5793
IUPAC Name:
2,6-ditert-butyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]phenol
InChI:
InChI=1S/C26H38O/c1-15-16(2)18(4)21(19(5)17(15)3)12-20-13-22(25(6,7)8)24(27)23(14-20)26(9,10)11/h13-14,27H,12H2,1-11H3
InChI Key:
WLCTUUISAMOWDD-UHFFFAOYSA-N
SMILES:
Cc1c(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)c(C)c(c(c1C)C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.292g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.589g/mol
Monoisotopic Mass:
366.292g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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