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260-62-8

260-62-8 | Benzo[b]quinolizinium

CAS No: 260-62-8 Catalog No: AG002RCM MDL No:

Product Description

Catalog Number:
AG002RCM
Chemical Name:
Benzo[b]quinolizinium
CAS Number:
260-62-8
Molecular Formula:
C13H10N+
Molecular Weight:
180.2252
IUPAC Name:
benzo[b]quinolizin-5-ium
InChI:
InChI=1S/C13H10N/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
InChI Key:
ZMPAZEDVJCTAQX-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c[n+]1c(c2)cccc1

Properties

Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.081g/mol
Formal Charge:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.23g/mol
Monoisotopic Mass:
180.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Literature

Title Journal
Studies on the mechanism of the photo-induced DNA damage in the presence of acridizinium salts-involvement of singlet oxygen and an unusual source for hydroxyl radicals. Journal of the American Chemical Society 20050112

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