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88600-70-8 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-propylphenoxy)-
CAS No: 88600-70-8 Catalog No: AG004CJG MDL No:
Product Description
Catalog Number:
AG004CJG
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-propylphenoxy)-
CAS Number:
88600-70-8
Molecular Formula:
C32H32N4O4
Molecular Weight:
536.6209
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(4-propylphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C32H32N4O4/c1-3-5-17-7-11-19(12-8-17)39-23-15-21(33)25-27(29(23)35)32(38)28-26(31(25)37)22(34)16-24(30(28)36)40-20-13-9-18(6-4-2)10-14-20/h7-16H,3-6,33-36H2,1-2H3
InChI Key:
LAYXNVADRWSFLI-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccc(cc1)CCC
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.242g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
536.632g/mol
Monoisotopic Mass:
536.242g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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