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114113-08-5 | 9,10-Anthracenedione, 1-[2-(4-methoxyphenyl)diazenyl]-
CAS No: 114113-08-5 Catalog No: AG000ALK MDL No:
Product Description
Catalog Number:
AG000ALK
Chemical Name:
9,10-Anthracenedione, 1-[2-(4-methoxyphenyl)diazenyl]-
CAS Number:
114113-08-5
Molecular Formula:
C21H14N2O3
Molecular Weight:
342.3475
IUPAC Name:
1-[(4-methoxyphenyl)diazenyl]anthracene-9,10-dione
InChI:
InChI=1S/C21H14N2O3/c1-26-14-11-9-13(10-12-14)22-23-18-8-4-7-17-19(18)21(25)16-6-3-2-5-15(16)20(17)24/h2-12H,1H3
InChI Key:
IUNUTLMMNUZLBR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=Nc1cccc2c1C(=O)c1ccccc1C2=O
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.354g/mol
Monoisotopic Mass:
342.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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