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88600-23-1 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,6-bis[3-(octyloxy)phenoxy]-
CAS No: 88600-23-1 Catalog No: AG004CJM MDL No:
Product Description
Catalog Number:
AG004CJM
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,6-bis[3-(octyloxy)phenoxy]-
CAS Number:
88600-23-1
Molecular Formula:
C42H52N4O6
Molecular Weight:
708.8855
IUPAC Name:
1,4,5,8-tetraamino-2,6-bis(3-octoxyphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C42H52N4O6/c1-3-5-7-9-11-13-21-49-27-17-15-19-29(23-27)51-33-25-31(43)35-37(39(33)45)41(47)36-32(44)26-34(40(46)38(36)42(35)48)52-30-20-16-18-28(24-30)50-22-14-12-10-8-6-4-2/h15-20,23-26H,3-14,21-22,43-46H2,1-2H3
InChI Key:
UFMYQBFCIFKVHL-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cccc(c1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)c(cc1N)Oc1cccc(c1)OCCCCCCCC
Properties
Complexity:
999
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
708.389g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
708.9g/mol
Monoisotopic Mass:
708.389g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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