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87897-33-4 | 9,10-Anthracenedione, 2,6-bis(4-butoxyphenoxy)-1,4,5,8-tetrahydroxy-
CAS No: 87897-33-4 Catalog No: AG004FWT MDL No:
Product Description
Catalog Number:
AG004FWT
Chemical Name:
9,10-Anthracenedione, 2,6-bis(4-butoxyphenoxy)-1,4,5,8-tetrahydroxy-
CAS Number:
87897-33-4
Molecular Formula:
C34H32O10
Molecular Weight:
600.6119
IUPAC Name:
2,6-bis(4-butoxyphenoxy)-1,4,5,8-tetrahydroxyanthracene-9,10-dione
InChI:
InChI=1S/C34H32O10/c1-3-5-15-41-19-7-11-21(12-8-19)43-25-17-23(35)27-29(31(25)37)33(39)28-24(36)18-26(32(38)30(28)34(27)40)44-22-13-9-20(10-14-22)42-16-6-4-2/h7-14,17-18,35-38H,3-6,15-16H2,1-2H3
InChI Key:
XIULUIOOLHTZMD-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)Oc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1O)Oc1ccc(cc1)OCCCC
Properties
Complexity:
855
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
600.2g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
600.62g/mol
Monoisotopic Mass:
600.2g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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