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89455-24-3 | 9,10-Anthracenedione, 1-amino-2-(3-aminophenoxy)-4-hydroxy-
CAS No: 89455-24-3 Catalog No: AG00447W MDL No:
Product Description
Catalog Number:
AG00447W
Chemical Name:
9,10-Anthracenedione, 1-amino-2-(3-aminophenoxy)-4-hydroxy-
CAS Number:
89455-24-3
Molecular Formula:
C20H14N2O4
Molecular Weight:
346.3362
IUPAC Name:
1-amino-2-(3-aminophenoxy)-4-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C20H14N2O4/c21-10-4-3-5-11(8-10)26-15-9-14(23)16-17(18(15)22)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,23H,21-22H2
InChI Key:
LAIZEXFBGFHKPN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
346.342g/mol
Monoisotopic Mass:
346.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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