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113779-21-8 | Benzo[l]cyclopenta[cd]pyren-10(9H)-one (9CI)
CAS No: 113779-21-8 Catalog No: AG0009N6 MDL No:
Product Description
Catalog Number:
AG0009N6
Chemical Name:
Benzo[l]cyclopenta[cd]pyren-10(9H)-one (9CI)
CAS Number:
113779-21-8
Molecular Formula:
C22H12O
Molecular Weight:
292.3301
IUPAC Name:
hexacyclo[16.3.1.04,21.07,20.08,13.014,19]docosa-1(22),2,4(21),5,7(20),8(13),11,14,16,18-decaen-9-one
InChI:
InChI=1S/C22H12O/c23-18-6-2-5-16-15-4-1-3-13-11-14-8-7-12-9-10-17(21(16)18)22(19(12)14)20(13)15/h1-5,7-11H,6H2
InChI Key:
DMNRZKZCVKWWBI-UHFFFAOYSA-N
SMILES:
O=C1Cc2c3c1ccc1c3c3c(c2)cccc3c2c1cccc2
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.337g/mol
Monoisotopic Mass:
292.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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