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117047-51-5 | 9,10-Anthracenedione, 2-[2-(4-hydroxyphenyl)diazenyl]-
CAS No: 117047-51-5 Catalog No: AG000DMS MDL No:
Product Description
Catalog Number:
AG000DMS
Chemical Name:
9,10-Anthracenedione, 2-[2-(4-hydroxyphenyl)diazenyl]-
CAS Number:
117047-51-5
Molecular Formula:
C20H12N2O3
Molecular Weight:
328.3209
IUPAC Name:
2-[(4-hydroxyphenyl)diazenyl]anthracene-9,10-dione
InChI:
InChI=1S/C20H12N2O3/c23-14-8-5-12(6-9-14)21-22-13-7-10-17-18(11-13)20(25)16-4-2-1-3-15(16)19(17)24/h1-11,23H
InChI Key:
JTHHACVKOBMDCA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N=Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.327g/mol
Monoisotopic Mass:
328.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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