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88604-05-1 | 9,10-Anthracenedione, 4,5-diamino-1,8-dihydroxy-2,7-bis(pentyloxy)-
CAS No: 88604-05-1 Catalog No: AG004AVJ MDL No:
Product Description
Catalog Number:
AG004AVJ
Chemical Name:
9,10-Anthracenedione, 4,5-diamino-1,8-dihydroxy-2,7-bis(pentyloxy)-
CAS Number:
88604-05-1
Molecular Formula:
C24H30N2O6
Molecular Weight:
442.5048
IUPAC Name:
4,5-diamino-1,8-dihydroxy-2,7-dipentoxyanthracene-9,10-dione
InChI:
InChI=1S/C24H30N2O6/c1-3-5-7-9-31-15-11-13(25)17-19(21(15)27)24(30)20-18(23(17)29)14(26)12-16(22(20)28)32-10-8-6-4-2/h11-12,27-28H,3-10,25-26H2,1-2H3
InChI Key:
WJHONLAGROPUER-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(N)c2c(c1O)C(=O)c1c(C2=O)c(N)cc(c1O)OCCCCC
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.21g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
442.512g/mol
Monoisotopic Mass:
442.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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