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88600-53-7 | 9,10-Anthracenedione, 1,4,5-triamino-2,6-bis(3,4-dimethylphenoxy)-
CAS No: 88600-53-7 Catalog No: AG004CJL MDL No:
Product Description
Catalog Number:
AG004CJL
Chemical Name:
9,10-Anthracenedione, 1,4,5-triamino-2,6-bis(3,4-dimethylphenoxy)-
CAS Number:
88600-53-7
Molecular Formula:
C30H27N3O4
Molecular Weight:
493.5531
IUPAC Name:
1,4,5-triamino-2,6-bis(3,4-dimethylphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C30H27N3O4/c1-14-5-7-18(11-16(14)3)36-22-10-9-20-24(27(22)32)30(35)25-21(31)13-23(28(33)26(25)29(20)34)37-19-8-6-15(2)17(4)12-19/h5-13H,31-33H2,1-4H3
InChI Key:
SUJOLTHBPWSETG-UHFFFAOYSA-N
SMILES:
Nc1c(Oc2ccc(c(c2)C)C)cc(c2c1C(=O)c1ccc(c(c1C2=O)N)Oc1ccc(c(c1)C)C)N
Properties
Complexity:
853
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.2g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
493.563g/mol
Monoisotopic Mass:
493.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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