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19756-52-6 | 9,10-Anthracenedione, 1-amino-2-[2,4-bis(1-methylpropyl)phenoxy]-4-hydroxy-
CAS No: 19756-52-6 Catalog No: AG002AVQ MDL No:
Product Description
Catalog Number:
AG002AVQ
Chemical Name:
9,10-Anthracenedione, 1-amino-2-[2,4-bis(1-methylpropyl)phenoxy]-4-hydroxy-
CAS Number:
19756-52-6
Molecular Formula:
C28H29NO4
Molecular Weight:
443.5342
IUPAC Name:
1-amino-2-[2,4-di(butan-2-yl)phenoxy]-4-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C28H29NO4/c1-5-15(3)17-11-12-22(20(13-17)16(4)6-2)33-23-14-21(30)24-25(26(23)29)28(32)19-10-8-7-9-18(19)27(24)31/h7-16,30H,5-6,29H2,1-4H3
InChI Key:
DUCHHTQUACAQPU-UHFFFAOYSA-N
SMILES:
CCC(c1cc(ccc1Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1)C(CC)C)C
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.21g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
443.543g/mol
Monoisotopic Mass:
443.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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