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20253-58-1 | 9,10-Anthracenedione, 1,4-dihydroxy-2-[(2-hydroxyethyl)amino]-
CAS No: 20253-58-1 Catalog No: AG0028AD MDL No:
Product Description
Catalog Number:
AG0028AD
Chemical Name:
9,10-Anthracenedione, 1,4-dihydroxy-2-[(2-hydroxyethyl)amino]-
CAS Number:
20253-58-1
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
1,4-dihydroxy-2-(2-hydroxyethylamino)anthracene-9,10-dione
InChI:
InChI=1S/C16H13NO5/c18-6-5-17-10-7-11(19)12-13(16(10)22)15(21)9-4-2-1-3-8(9)14(12)20/h1-4,7,17-19,22H,5-6H2
InChI Key:
ALSXGHCUQWPHGN-UHFFFAOYSA-N
SMILES:
OCCNc1cc(O)c2c(c1O)C(=O)c1c(C2=O)cccc1
NSC Number:
354280
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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