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88147-73-3 | 9,10-Anthracenedione, 1,8-dihydroxy-2,7-dipentyl-
CAS No: 88147-73-3 Catalog No: AG004GCE MDL No:
Product Description
Catalog Number:
AG004GCE
Chemical Name:
9,10-Anthracenedione, 1,8-dihydroxy-2,7-dipentyl-
CAS Number:
88147-73-3
Molecular Formula:
C24H28O4
Molecular Weight:
380.4767
IUPAC Name:
1,8-dihydroxy-2,7-dipentylanthracene-9,10-dione
InChI:
InChI=1S/C24H28O4/c1-3-5-7-9-15-11-13-17-19(21(15)25)24(28)20-18(23(17)27)14-12-16(22(20)26)10-8-6-4-2/h11-14,25-26H,3-10H2,1-2H3
InChI Key:
GTHKKRRIKXFSAO-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc2c(c1O)C(=O)c1c(C2=O)ccc(c1O)CCCCC
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.199g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.484g/mol
Monoisotopic Mass:
380.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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