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141794-41-4 | 9,10-Anthracenedione, 1-amino-2-(2,4-dimethylphenoxy)-4-hydroxy-
CAS No: 141794-41-4 Catalog No: AG001H6L MDL No:
Product Description
Catalog Number:
AG001H6L
Chemical Name:
9,10-Anthracenedione, 1-amino-2-(2,4-dimethylphenoxy)-4-hydroxy-
CAS Number:
141794-41-4
Molecular Formula:
C22H17NO4
Molecular Weight:
359.3747
IUPAC Name:
1-amino-2-(2,4-dimethylphenoxy)-4-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C22H17NO4/c1-11-7-8-16(12(2)9-11)27-17-10-15(24)18-19(20(17)23)22(26)14-6-4-3-5-13(14)21(18)25/h3-10,24H,23H2,1-2H3
InChI Key:
PHZDDNRFLBMCNJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.116g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.381g/mol
Monoisotopic Mass:
359.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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