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13217-65-7 | 9,10-Anthracenedione, 2-(butylamino)-1,4-dihydroxy-
CAS No: 13217-65-7 Catalog No: AG0010C2 MDL No:
Product Description
Catalog Number:
AG0010C2
Chemical Name:
9,10-Anthracenedione, 2-(butylamino)-1,4-dihydroxy-
CAS Number:
13217-65-7
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
2-(butylamino)-1,4-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C18H17NO4/c1-2-3-8-19-12-9-13(20)14-15(18(12)23)17(22)11-7-5-4-6-10(11)16(14)21/h4-7,9,19-20,23H,2-3,8H2,1H3
InChI Key:
VDIFWXJQMUAUMY-UHFFFAOYSA-N
SMILES:
CCCCNc1cc(O)c2c(c1O)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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