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82-21-3 | 9,10-Anthracenedione,1,5-diphenoxy-
CAS No: 82-21-3 Catalog No: AG005H67 MDL No:
Product Description
Catalog Number:
AG005H67
Chemical Name:
9,10-Anthracenedione,1,5-diphenoxy-
CAS Number:
82-21-3
Molecular Formula:
C26H16O4
Molecular Weight:
392.4028
IUPAC Name:
1,5-diphenoxyanthracene-9,10-dione
InChI:
InChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H
InChI Key:
GSNYYYXHQZHEFP-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)c2c1c(ccc2)Oc1ccccc1)Oc1ccccc1
EC Number:
201-404-1
NSC Number:
37627
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.105g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.41g/mol
Monoisotopic Mass:
392.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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