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261-10-9 | Pyrido[2,1-b]quinazolin-10-ium (8CI,9CI)
CAS No: 261-10-9 Catalog No: AG002RNZ MDL No:
Product Description
Catalog Number:
AG002RNZ
Chemical Name:
Pyrido[2,1-b]quinazolin-10-ium (8CI,9CI)
CAS Number:
261-10-9
Molecular Formula:
C12H9N2+
Molecular Weight:
181.2133
IUPAC Name:
pyrido[2,1-b]quinazolin-10-ium
InChI:
InChI=1S/C12H9N2/c1-2-6-11-10(5-1)9-14-8-4-3-7-12(14)13-11/h1-9H/q+1
InChI Key:
ZGQDWFJGJGEOSN-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc1[n+](c2)cccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.077g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.218g/mol
Monoisotopic Mass:
181.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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