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Home > Other Building Blocks > 88380-34-1
88380-34-1 | 9,10-Anthracenedione, 2,7-diheptyl-1,8-dihydroxy-
CAS No: 88380-34-1 Catalog No: AG004FRL MDL No:
Product Description
Catalog Number:
AG004FRL
Chemical Name:
9,10-Anthracenedione, 2,7-diheptyl-1,8-dihydroxy-
CAS Number:
88380-34-1
Molecular Formula:
C28H36O4
Molecular Weight:
436.5830
IUPAC Name:
2,7-diheptyl-1,8-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C28H36O4/c1-3-5-7-9-11-13-19-15-17-21-23(25(19)29)28(32)24-22(27(21)31)18-16-20(26(24)30)14-12-10-8-6-4-2/h15-18,29-30H,3-14H2,1-2H3
InChI Key:
DRPAZUNTZPUONO-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc2c(c1O)C(=O)c1c(C2=O)ccc(c1O)CCCCCCC
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.261g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.592g/mol
Monoisotopic Mass:
436.261g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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