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88600-64-0 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(3-methylphenoxy)-
CAS No: 88600-64-0 Catalog No: AG004ANL MDL No:
Product Description
Catalog Number:
AG004ANL
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(3-methylphenoxy)-
CAS Number:
88600-64-0
Molecular Formula:
C28H24N4O4
Molecular Weight:
480.5146
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(3-methylphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C28H24N4O4/c1-13-5-3-7-15(9-13)35-19-11-17(29)21-23(25(19)31)28(34)24-22(27(21)33)18(30)12-20(26(24)32)36-16-8-4-6-14(2)10-16/h3-12H,29-32H2,1-2H3
InChI Key:
LBPFINPYWOATJQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1cccc(c1)C
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.18g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
480.524g/mol
Monoisotopic Mass:
480.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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