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79609-47-5 | 9,10-Anthracenedione, 1-amino-2-(4-butoxyphenoxy)-4-hydroxy-
CAS No: 79609-47-5 Catalog No: AG00519P MDL No:
Product Description
Catalog Number:
AG00519P
Chemical Name:
9,10-Anthracenedione, 1-amino-2-(4-butoxyphenoxy)-4-hydroxy-
CAS Number:
79609-47-5
Molecular Formula:
C24H21NO5
Molecular Weight:
403.4272
IUPAC Name:
1-amino-2-(4-butoxyphenoxy)-4-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C24H21NO5/c1-2-3-12-29-14-8-10-15(11-9-14)30-19-13-18(26)20-21(22(19)25)24(28)17-7-5-4-6-16(17)23(20)27/h4-11,13,26H,2-3,12,25H2,1H3
InChI Key:
HUVDVDUMCKIJFW-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.142g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.434g/mol
Monoisotopic Mass:
403.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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