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88600-78-6 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-nonylphenoxy)-
CAS No: 88600-78-6 Catalog No: AG004CJD MDL No:
Product Description
Catalog Number:
AG004CJD
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-nonylphenoxy)-
CAS Number:
88600-78-6
Molecular Formula:
C44H56N4O4
Molecular Weight:
704.9398
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(4-nonylphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C44H56N4O4/c1-3-5-7-9-11-13-15-17-29-19-23-31(24-20-29)51-35-27-33(45)37-39(41(35)47)44(50)40-38(43(37)49)34(46)28-36(42(40)48)52-32-25-21-30(22-26-32)18-16-14-12-10-8-6-4-2/h19-28H,3-18,45-48H2,1-2H3
InChI Key:
FEUJTWYBFKSKIH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(cc1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccc(cc1)CCCCCCCCC
Properties
Complexity:
981
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
704.43g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
704.956g/mol
Monoisotopic Mass:
704.43g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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