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188944-68-5 | 1,8-Anthracenedicarboxamide, 9-hydroxy-
CAS No: 188944-68-5 Catalog No: AG002HK9 MDL No:
Product Description
Catalog Number:
AG002HK9
Chemical Name:
1,8-Anthracenedicarboxamide, 9-hydroxy-
CAS Number:
188944-68-5
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
9-hydroxyanthracene-1,8-dicarboxamide
InChI:
InChI=1S/C16H12N2O3/c17-15(20)10-5-1-3-8-7-9-4-2-6-11(16(18)21)13(9)14(19)12(8)10/h1-7,19H,(H2,17,20)(H2,18,21)
InChI Key:
ILRMYARTXBTKLR-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc2c1c(O)c1c(c2)cccc1C(=O)N
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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