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13913-77-4 | Benz[j]aceanthrylene-1,2-dione (9CI)
CAS No: 13913-77-4 Catalog No: AG001ADG MDL No:
Product Description
Catalog Number:
AG001ADG
Chemical Name:
Benz[j]aceanthrylene-1,2-dione (9CI)
CAS Number:
13913-77-4
Molecular Formula:
C20H10O2
Molecular Weight:
282.2922
IUPAC Name:
benzo[j]aceanthrylene-1,2-dione
InChI:
InChI=1S/C20H10O2/c21-19-15-7-3-5-12-10-16-13-6-2-1-4-11(13)8-9-14(16)18(17(12)15)20(19)22/h1-10H
InChI Key:
WGCPWJBVPVSJQE-UHFFFAOYSA-N
SMILES:
O=C1C(=O)c2c3c1cccc3cc1c2ccc2c1cccc2
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.298g/mol
Monoisotopic Mass:
282.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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