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88600-79-7 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(2-methoxyphenoxy)-
CAS No: 88600-79-7 Catalog No: AG004CJC MDL No:
Product Description
Catalog Number:
AG004CJC
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(2-methoxyphenoxy)-
CAS Number:
88600-79-7
Molecular Formula:
C28H24N4O6
Molecular Weight:
512.5134
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(2-methoxyphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C28H24N4O6/c1-35-15-7-3-5-9-17(15)37-19-11-13(29)21-23(25(19)31)28(34)24-22(27(21)33)14(30)12-20(26(24)32)38-18-10-6-4-8-16(18)36-2/h3-12H,29-32H2,1-2H3
InChI Key:
AWLUCCWKNUBYON-UHFFFAOYSA-N
SMILES:
COc1ccccc1Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccccc1OC
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.17g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
512.522g/mol
Monoisotopic Mass:
512.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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