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127698-11-7 | Phenol, 2,2'-methylenebis[4-butoxy-6-(1,1-dimethylethyl)-
CAS No: 127698-11-7 Catalog No: AG000XBP MDL No:
Product Description
Catalog Number:
AG000XBP
Chemical Name:
Phenol, 2,2'-methylenebis[4-butoxy-6-(1,1-dimethylethyl)-
CAS Number:
127698-11-7
Molecular Formula:
C29H44O4
Molecular Weight:
456.6573
IUPAC Name:
4-butoxy-2-[(5-butoxy-3-tert-butyl-2-hydroxyphenyl)methyl]-6-tert-butylphenol
InChI:
InChI=1S/C29H44O4/c1-9-11-13-32-22-16-20(26(30)24(18-22)28(3,4)5)15-21-17-23(33-14-12-10-2)19-25(27(21)31)29(6,7)8/h16-19,30-31H,9-15H2,1-8H3
InChI Key:
ZCVHIAKDOGBRFG-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(Cc2cc(OCCCC)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.324g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.667g/mol
Monoisotopic Mass:
456.324g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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