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88600-86-6 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-propoxyphenoxy)-
CAS No: 88600-86-6 Catalog No: AG004AYQ MDL No:
Product Description
Catalog Number:
AG004AYQ
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-propoxyphenoxy)-
CAS Number:
88600-86-6
Molecular Formula:
C32H32N4O6
Molecular Weight:
568.6197
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(4-propoxyphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C32H32N4O6/c1-3-13-39-17-5-9-19(10-6-17)41-23-15-21(33)25-27(29(23)35)32(38)28-26(31(25)37)22(34)16-24(30(28)36)42-20-11-7-18(8-12-20)40-14-4-2/h5-12,15-16H,3-4,13-14,33-36H2,1-2H3
InChI Key:
NKLTYHHQIFWHTN-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccc(cc1)OCCC
Properties
Complexity:
839
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.232g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
568.63g/mol
Monoisotopic Mass:
568.232g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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