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6907-48-8

6907-48-8 | 2,2'-Biquinoline, 1-oxide

CAS No: 6907-48-8 Catalog No: AG005LPM MDL No:

Product Description

Catalog Number:
AG005LPM
Chemical Name:
2,2'-Biquinoline, 1-oxide
CAS Number:
6907-48-8
Molecular Formula:
C18H12N2O
Molecular Weight:
272.3007
IUPAC Name:
1-oxido-2-quinolin-2-ylquinolin-1-ium
InChI:
InChI=1S/C18H12N2O/c21-20-17-8-4-2-6-14(17)10-12-18(20)16-11-9-13-5-1-3-7-15(13)19-16/h1-12H
InChI Key:
HLUNTHWDECQMOX-UHFFFAOYSA-N
SMILES:
[O-][n+]1c(ccc2c1cccc2)c1ccc2c(n1)cccc2

Properties

Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.095g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.307g/mol
Monoisotopic Mass:
272.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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