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13728-49-9 | Benz[j]aceanthrylen-1(2H)-one (9CI)
CAS No: 13728-49-9 Catalog No: AG001324 MDL No:
Product Description
Catalog Number:
AG001324
Chemical Name:
Benz[j]aceanthrylen-1(2H)-one (9CI)
CAS Number:
13728-49-9
Molecular Formula:
C20H12O
Molecular Weight:
268.3087
IUPAC Name:
2H-benzo[j]aceanthrylen-1-one
InChI:
InChI=1S/C20H12O/c21-18-11-14-6-3-5-13-10-17-15-7-2-1-4-12(15)8-9-16(17)20(18)19(13)14/h1-10H,11H2
InChI Key:
MHLZQIIARJSAIM-UHFFFAOYSA-N
SMILES:
O=C1Cc2c3c1c1ccc4c(c1cc3ccc2)cccc4
NSC Number:
172535
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.315g/mol
Monoisotopic Mass:
268.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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