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88600-81-1 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-methoxyphenoxy)-
CAS No: 88600-81-1 Catalog No: AG004CJB MDL No:
Product Description
Catalog Number:
AG004CJB
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(4-methoxyphenoxy)-
CAS Number:
88600-81-1
Molecular Formula:
C28H24N4O6
Molecular Weight:
512.5134
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(4-methoxyphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C28H24N4O6/c1-35-13-3-7-15(8-4-13)37-19-11-17(29)21-23(25(19)31)28(34)24-22(27(21)33)18(30)12-20(26(24)32)38-16-9-5-14(36-2)6-10-16/h3-12H,29-32H2,1-2H3
InChI Key:
MJBCWOYMNHYMFC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccc(cc1)OC
Properties
Complexity:
781
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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