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116655-11-9 | 9,10-Anthracenedione, 1,2,3-tris(1,1-dimethylethyl)-
CAS No: 116655-11-9 Catalog No: AG000CXG MDL No:
Product Description
Catalog Number:
AG000CXG
Chemical Name:
9,10-Anthracenedione, 1,2,3-tris(1,1-dimethylethyl)-
CAS Number:
116655-11-9
Molecular Formula:
C26H32O2
Molecular Weight:
376.5311
IUPAC Name:
1,2,3-tritert-butylanthracene-9,10-dione
InChI:
InChI=1S/C26H32O2/c1-24(2,3)18-14-17-19(21(26(7,8)9)20(18)25(4,5)6)23(28)16-13-11-10-12-15(16)22(17)27/h10-14H,1-9H3
InChI Key:
KCTNFMZECQFVNL-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1cc(c(c2C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.24g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.54g/mol
Monoisotopic Mass:
376.24g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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