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88600-82-2 | 9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)-
CAS No: 88600-82-2 Catalog No: AG004ANH MDL No:
Product Description
Catalog Number:
AG004ANH
Chemical Name:
9,10-Anthracenedione, 1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)-
CAS Number:
88600-82-2
Molecular Formula:
C30H28N4O6
Molecular Weight:
540.5665
IUPAC Name:
1,4,5,8-tetraamino-2,7-bis(2-ethoxyphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C30H28N4O6/c1-3-37-17-9-5-7-11-19(17)39-21-13-15(31)23-25(27(21)33)30(36)26-24(29(23)35)16(32)14-22(28(26)34)40-20-12-8-6-10-18(20)38-4-2/h5-14H,3-4,31-34H2,1-2H3
InChI Key:
NJDMHGFKCYZBQX-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)c(N)cc(c1N)Oc1ccccc1OCC
Properties
Complexity:
826
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.201g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
540.576g/mol
Monoisotopic Mass:
540.201g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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