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120-95-6 | Phenol, 2,4-bis(1,1-dimethylpropyl)-
CAS No: 120-95-6 Catalog No: AG000Q1C MDL No:MFCD00041929
Product Description
Catalog Number:
AG000Q1C
Chemical Name:
Phenol, 2,4-bis(1,1-dimethylpropyl)-
CAS Number:
120-95-6
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
MDL Number:
MFCD00041929
IUPAC Name:
2,4-bis(2-methylbutan-2-yl)phenol
InChI:
InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
InChI Key:
WMVJWKURWRGJCI-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)C(CC)(C)C)O)(C)C
EC Number:
204-439-0
UNII:
852F1HP88H
NSC Number:
158351
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Literature
| Title | Journal |
|---|---|
| [Determination of 2,4,6-tri-tert-butylphenol and related compounds in foods]. | Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20011201 |
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