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17869-09-9 | 9,10-Anthracenedione, 1-amino-4-hydroxy-2-(4-hydroxybutoxy)-
CAS No: 17869-09-9 Catalog No: AG00268L MDL No:
Product Description
Catalog Number:
AG00268L
Chemical Name:
9,10-Anthracenedione, 1-amino-4-hydroxy-2-(4-hydroxybutoxy)-
CAS Number:
17869-09-9
Molecular Formula:
C18H17NO5
Molecular Weight:
327.3313
IUPAC Name:
1-amino-4-hydroxy-2-(4-hydroxybutoxy)anthracene-9,10-dione
InChI:
InChI=1S/C18H17NO5/c19-16-13(24-8-4-3-7-20)9-12(21)14-15(16)18(23)11-6-2-1-5-10(11)17(14)22/h1-2,5-6,9,20-21H,3-4,7-8,19H2
InChI Key:
MXDMAZZFLAVZMJ-UHFFFAOYSA-N
SMILES:
OCCCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.336g/mol
Monoisotopic Mass:
327.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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