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89705-58-8 | Benz[f]isoquinoline, 3-oxide
CAS No: 89705-58-8 Catalog No: AG00885I MDL No:
Product Description
Catalog Number:
AG00885I
Chemical Name:
Benz[f]isoquinoline, 3-oxide
CAS Number:
89705-58-8
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
IUPAC Name:
3-oxidobenzo[f]isoquinolin-3-ium
InChI:
InChI=1S/C13H9NO/c15-14-8-7-13-11(9-14)6-5-10-3-1-2-4-12(10)13/h1-9H
InChI Key:
AHKMCCVJOSCOIV-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc2c(c1)ccc1c2cccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.221g/mol
Monoisotopic Mass:
195.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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