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139102-10-6 | 9,10-Anthracenedione, 2,3-dihexyl-
CAS No: 139102-10-6 Catalog No: AG001A9J MDL No:
Product Description
Catalog Number:
AG001A9J
Chemical Name:
9,10-Anthracenedione, 2,3-dihexyl-
CAS Number:
139102-10-6
Molecular Formula:
C26H32O2
Molecular Weight:
376.5311
IUPAC Name:
2,3-dihexylanthracene-9,10-dione
InChI:
InChI=1S/C26H32O2/c1-3-5-7-9-13-19-17-23-24(18-20(19)14-10-8-6-4-2)26(28)22-16-12-11-15-21(22)25(23)27/h11-12,15-18H,3-10,13-14H2,1-2H3
InChI Key:
MMIZYCMKBZGQTL-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc2c(cc1CCCCCC)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
465
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:
10
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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