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113969-40-7 | 1,4-Anthracenedione, 9-phenyl-
CAS No: 113969-40-7 Catalog No: AG000A74 MDL No:
Product Description
Catalog Number:
AG000A74
Chemical Name:
1,4-Anthracenedione, 9-phenyl-
CAS Number:
113969-40-7
Molecular Formula:
C20H12O2
Molecular Weight:
284.3081
IUPAC Name:
9-phenylanthracene-1,4-dione
InChI:
InChI=1S/C20H12O2/c21-17-10-11-18(22)20-16(17)12-14-8-4-5-9-15(14)19(20)13-6-2-1-3-7-13/h1-12H
InChI Key:
HSQYSNFZBOZLNI-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1cc1ccccc1c2c1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.314g/mol
Monoisotopic Mass:
284.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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