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102185-00-2 | 9,10-Anthracenedione, 4-amino-2,6-bis(4-butylphenoxy)-1,5-dihydroxy-
CAS No: 102185-00-2 Catalog No: AG0006T2 MDL No:
Product Description
Catalog Number:
AG0006T2
Chemical Name:
9,10-Anthracenedione, 4-amino-2,6-bis(4-butylphenoxy)-1,5-dihydroxy-
CAS Number:
102185-00-2
Molecular Formula:
C34H33NO6
Molecular Weight:
551.6289
IUPAC Name:
4-amino-2,6-bis(4-butylphenoxy)-1,5-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C34H33NO6/c1-3-5-7-20-9-13-22(14-10-20)40-26-18-17-24-28(32(26)37)34(39)29-25(35)19-27(33(38)30(29)31(24)36)41-23-15-11-21(12-16-23)8-6-4-2/h9-19,37-38H,3-8,35H2,1-2H3
InChI Key:
RJPWQIGFPDGPOR-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)Oc1ccc2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1N)Oc1ccc(cc1)CCCC
Properties
Complexity:
865
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.231g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
551.639g/mol
Monoisotopic Mass:
551.231g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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