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86853-89-6 | 11H-Benz[bc]aceanthrylen-11-one
CAS No: 86853-89-6 Catalog No: AG004QWA MDL No:
Product Description
Catalog Number:
AG004QWA
Chemical Name:
11H-Benz[bc]aceanthrylen-11-one
CAS Number:
86853-89-6
Molecular Formula:
C19H10O
Molecular Weight:
254.2821
IUPAC Name:
pentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-19-one
InChI:
InChI=1S/C19H10O/c20-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(19)17(13)16(11)15/h1-10H
InChI Key:
ZJDMTXHCSKYMJV-UHFFFAOYSA-N
SMILES:
O=c1c2cccc3c2c2c1c1ccccc1cc2cc3
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.288g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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