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88602-44-2 | 9,10-Anthracenedione, 4,5-diamino-2,7-dibutoxy-1,8-dihydroxy-
CAS No: 88602-44-2 Catalog No: AG004CHP MDL No:
Product Description
Catalog Number:
AG004CHP
Chemical Name:
9,10-Anthracenedione, 4,5-diamino-2,7-dibutoxy-1,8-dihydroxy-
CAS Number:
88602-44-2
Molecular Formula:
C22H26N2O6
Molecular Weight:
414.4516
IUPAC Name:
4,5-diamino-2,7-dibutoxy-1,8-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C22H26N2O6/c1-3-5-7-29-13-9-11(23)15-17(19(13)25)22(28)18-16(21(15)27)12(24)10-14(20(18)26)30-8-6-4-2/h9-10,25-26H,3-8,23-24H2,1-2H3
InChI Key:
FVHSSOPMZLODAA-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(N)c2c(c1O)C(=O)c1c(C2=O)c(N)cc(c1O)OCCCC
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
414.458g/mol
Monoisotopic Mass:
414.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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