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113568-84-6 | 9,10-Anthracenedione, 2,3-dipentyl-
CAS No: 113568-84-6 Catalog No: AG00090D MDL No:
Product Description
Catalog Number:
AG00090D
Chemical Name:
9,10-Anthracenedione, 2,3-dipentyl-
CAS Number:
113568-84-6
Molecular Formula:
C24H28O2
Molecular Weight:
348.4779
IUPAC Name:
2,3-dipentylanthracene-9,10-dione
InChI:
InChI=1S/C24H28O2/c1-3-5-7-11-17-15-21-22(16-18(17)12-8-6-4-2)24(26)20-14-10-9-13-19(20)23(21)25/h9-10,13-16H,3-8,11-12H2,1-2H3
InChI Key:
YBHMMJFLDCSJCN-UHFFFAOYSA-N
SMILES:
CCCCCc1cc2c(cc1CCCCC)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.209g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.486g/mol
Monoisotopic Mass:
348.209g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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