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114326-31-7 | Dibenz[a,j]anthracene-3,4-dione
CAS No: 114326-31-7 Catalog No: AG000B3I MDL No:
Product Description
Catalog Number:
AG000B3I
Chemical Name:
Dibenz[a,j]anthracene-3,4-dione
CAS Number:
114326-31-7
Molecular Formula:
C22H12O2
Molecular Weight:
308.3295
IUPAC Name:
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17,19,21-decaene-7,8-dione
InChI:
InChI=1S/C22H12O2/c23-21-10-9-17-18(22(21)24)8-7-15-11-14-6-5-13-3-1-2-4-16(13)19(14)12-20(15)17/h1-12H
InChI Key:
NAAFVUYEKRQGOT-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C=Cc2c1ccc1c2cc2c(c1)ccc1c2cccc1
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.336g/mol
Monoisotopic Mass:
308.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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