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161775-67-3 | Phenol, 2,6-bis[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]-4-methyl-
CAS No: 161775-67-3 Catalog No: AG001VV6 MDL No:
Product Description
Catalog Number:
AG001VV6
Chemical Name:
Phenol, 2,6-bis[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]-4-methyl-
CAS Number:
161775-67-3
Molecular Formula:
C29H36O3
Molecular Weight:
432.5943
IUPAC Name:
2,6-bis[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
InChI:
InChI=1S/C29H36O3/c1-18-12-21(14-19-16-23(28(2,3)4)8-10-25(19)30)27(32)22(13-18)15-20-17-24(29(5,6)7)9-11-26(20)31/h8-13,16-17,30-32H,14-15H2,1-7H3
InChI Key:
OVWMTNNMNKKBBD-UHFFFAOYSA-N
SMILES:
Cc1cc(Cc2cc(ccc2O)C(C)(C)C)c(c(c1)Cc1cc(ccc1O)C(C)(C)C)O
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.266g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
432.604g/mol
Monoisotopic Mass:
432.266g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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