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159113-90-3 | 1H-Benz[f]inden-1-one
CAS No: 159113-90-3 Catalog No: AG001QHO MDL No:
Product Description
Catalog Number:
AG001QHO
Chemical Name:
1H-Benz[f]inden-1-one
CAS Number:
159113-90-3
Molecular Formula:
C13H8O
Molecular Weight:
180.2020
IUPAC Name:
cyclopenta[b]naphthalen-3-one
InChI:
InChI=1S/C13H8O/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)13/h1-8H
InChI Key:
GKNABNSMFLSGJL-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2c1cc1ccccc1c2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.206g/mol
Monoisotopic Mass:
180.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Facile synthetic access to multisubstituted benz[f]indenones and their application as ligands to the first synthesis of group(IV) metallocene complexes. | Organic letters 20030821 |
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