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88960-29-6 | 9,10-Anthracenedione, 1,1'-(butylidenediimino)bis-
CAS No: 88960-29-6 Catalog No: AG0047K0 MDL No:
Product Description
Catalog Number:
AG0047K0
Chemical Name:
9,10-Anthracenedione, 1,1'-(butylidenediimino)bis-
CAS Number:
88960-29-6
Molecular Formula:
C32H24N2O4
Molecular Weight:
500.5440
IUPAC Name:
1-[1-[(9,10-dioxoanthracen-1-yl)amino]butylamino]anthracene-9,10-dione
InChI:
InChI=1S/C32H24N2O4/c1-2-9-26(33-24-16-7-14-22-27(24)31(37)20-12-5-3-10-18(20)29(22)35)34-25-17-8-15-23-28(25)32(38)21-13-6-4-11-19(21)30(23)36/h3-8,10-17,26,33-34H,2,9H2,1H3
InChI Key:
NELIDYDPOIKGMK-UHFFFAOYSA-N
SMILES:
CCCC(Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
Properties
Complexity:
876
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.174g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
500.554g/mol
Monoisotopic Mass:
500.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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