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13324-23-7 | 9,10-Anthracenedione, 1,5-bis(dimethylamino)-4,8-dihydroxy-
CAS No: 13324-23-7 Catalog No: AG0014G9 MDL No:
Product Description
Catalog Number:
AG0014G9
Chemical Name:
9,10-Anthracenedione, 1,5-bis(dimethylamino)-4,8-dihydroxy-
CAS Number:
13324-23-7
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
1,5-bis(dimethylamino)-4,8-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C18H18N2O4/c1-19(2)9-5-7-11(21)15-13(9)17(23)16-12(22)8-6-10(20(3)4)14(16)18(15)24/h5-8,21-22H,1-4H3
InChI Key:
QWNYSSXILSEIKT-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1N(C)C)N(C)C
EC Number:
603-725-6
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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