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164391-52-0 | 5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)benzofuran-2(3H)-one
CAS No: 164391-52-0 Catalog No: AG01FNDB MDL No:MFCD30729989
Product Description
Catalog Number:
AG01FNDB
Chemical Name:
5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)benzofuran-2(3H)-one
CAS Number:
164391-52-0
MDL Number:
MFCD30729989
IUPAC Name:
5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one
InChI:
InChI=1S/C24H30O2/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3
InChI Key:
CYHYIIFODCKQNP-UHFFFAOYSA-N
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.225g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.502g/mol
Monoisotopic Mass:
350.225g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
Literature
| Title | Journal |
|---|---|
| Actual structure, thermodynamic driving force, and mechanism of benzofuranone-typical compounds as antioxidants in solution. | The journal of physical chemistry. B 20110407 |
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