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84100-90-3 | 9,10-Anthracenedione,1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxy-
CAS No: 84100-90-3 Catalog No: AG004PVP MDL No:
Product Description
Catalog Number:
AG004PVP
Chemical Name:
9,10-Anthracenedione,1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxy-
CAS Number:
84100-90-3
Molecular Formula:
C20H14N2O6
Molecular Weight:
378.3350
IUPAC Name:
1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C20H14N2O6/c21-9-2-4-11(24)15-14(9)19(27)16-13(26)6-8(18(22)17(16)20(15)28)7-1-3-10(23)12(25)5-7/h1-6,23-26H,21-22H2
InChI Key:
PZFWXFIOPGAEJT-UHFFFAOYSA-N
SMILES:
Oc1cc(c2ccc(c(c2)O)O)c(c2c1C(=O)c1c(C2=O)c(O)ccc1N)N
EC Number:
282-169-2
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
378.34g/mol
Monoisotopic Mass:
378.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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