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Home Other Building Blocks 5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)benzofuran-2(3H)-one

5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)benzofuran-2(3H)-one

CAS No.:
164391-52-0
Catalog Number:
AG01FNDB
Molecular Formula:
C24H30O2
Molecular Weight:
350.4938
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
98%
1 week
United States
$35
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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
Molecular Formula:
C24H30O2
Molecular Weight:
350.4938
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
SMILES:
O=C1Oc2c(C1c1ccc(c(c1)C)C)cc(cc2C(C)(C)C)C(C)(C)C
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
Properties