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133090-41-2 | Phenol, 4,4'-methylenebis[2,5-bis(1,1-dimethylethyl)-
CAS No: 133090-41-2 Catalog No: AG00148J MDL No:
Product Description
Catalog Number:
AG00148J
Chemical Name:
Phenol, 4,4'-methylenebis[2,5-bis(1,1-dimethylethyl)-
CAS Number:
133090-41-2
Molecular Formula:
C29H44O2
Molecular Weight:
424.6585
IUPAC Name:
2,5-ditert-butyl-4-[(2,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
InChI:
InChI=1S/C29H44O2/c1-26(2,3)20-16-24(30)22(28(7,8)9)14-18(20)13-19-15-23(29(10,11)12)25(31)17-21(19)27(4,5)6/h14-17,30-31H,13H2,1-12H3
InChI Key:
XOJRBTBFGUKLPU-UHFFFAOYSA-N
SMILES:
CC(c1cc(O)c(cc1Cc1cc(c(cc1C(C)(C)C)O)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.334g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.669g/mol
Monoisotopic Mass:
424.334g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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