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100495-56-5 | 9,10-Anthracenedione, 1,4-bis(ethylamino)-5,8-dihydroxy-
CAS No: 100495-56-5 Catalog No: AG000251 MDL No:
Product Description
Catalog Number:
AG000251
Chemical Name:
9,10-Anthracenedione, 1,4-bis(ethylamino)-5,8-dihydroxy-
CAS Number:
100495-56-5
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
1,4-bis(ethylamino)-5,8-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C18H18N2O4/c1-3-19-9-5-6-10(20-4-2)14-13(9)17(23)15-11(21)7-8-12(22)16(15)18(14)24/h5-8,19-22H,3-4H2,1-2H3
InChI Key:
ASJLJAZLMJTNAY-UHFFFAOYSA-N
SMILES:
CCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCC
Properties
Complexity:
453
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:
4
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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