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Home > Other Building Blocks > 167779-22-8
167779-22-8 | 9,10-Anthracenedione, 1-[4-(1,1-dimethylethyl)phenoxy]-
CAS No: 167779-22-8 Catalog No: AG001XLF MDL No:
Product Description
Catalog Number:
AG001XLF
Chemical Name:
9,10-Anthracenedione, 1-[4-(1,1-dimethylethyl)phenoxy]-
CAS Number:
167779-22-8
Molecular Formula:
C24H20O3
Molecular Weight:
356.4138
IUPAC Name:
1-(4-tert-butylphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C24H20O3/c1-24(2,3)15-11-13-16(14-12-15)27-20-10-6-9-19-21(20)23(26)18-8-5-4-7-17(18)22(19)25/h4-14H,1-3H3
InChI Key:
BGNCSMSDFBOZDI-UHFFFAOYSA-N
SMILES:
O=C1c2c(cccc2C(=O)c2c1cccc2)Oc1ccc(cc1)C(C)(C)C
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.141g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.421g/mol
Monoisotopic Mass:
356.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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