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15939-84-1 | 9,10-Anthracenedione, 1,5-bis[(2-hydroxyethyl)amino]-
CAS No: 15939-84-1 Catalog No: AG001QO8 MDL No:
Product Description
Catalog Number:
AG001QO8
Chemical Name:
9,10-Anthracenedione, 1,5-bis[(2-hydroxyethyl)amino]-
CAS Number:
15939-84-1
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
1,5-bis(2-hydroxyethylamino)anthracene-9,10-dione
InChI:
InChI=1S/C18H18N2O4/c21-9-7-19-13-5-1-3-11-15(13)18(24)12-4-2-6-14(20-8-10-22)16(12)17(11)23/h1-6,19-22H,7-10H2
InChI Key:
NHCOLOILTUTOLA-UHFFFAOYSA-N
SMILES:
OCCNc1cccc2c1C(=O)c1c(C2=O)c(NCCO)ccc1
Properties
Complexity:
428
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:
6
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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