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655-83-4 | BENZO[1,2-B:5,4-B']DIQUINOLIZINEDIIUM
CAS No: 655-83-4 Catalog No: AG006RCJ MDL No:
Product Description
Catalog Number:
AG006RCJ
Chemical Name:
BENZO[1,2-B:5,4-B']DIQUINOLIZINEDIIUM
CAS Number:
655-83-4
Molecular Formula:
C20H14N2++
Molecular Weight:
282.3386
IUPAC Name:
5,21-diazoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
InChI:
InChI=1S/C20H14N2/c1-3-7-21-13-17-10-18-14-22-8-4-2-6-20(22)12-16(18)9-15(17)11-19(21)5-1/h1-14H/q+2
InChI Key:
MKFXHFBUXBEHBC-UHFFFAOYSA-N
SMILES:
c1cc[n+]2c(c1)cc1c(c2)cc2c(c1)cc1[n+](c2)cccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.116g/mol
Formal Charge:
2
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.346g/mol
Monoisotopic Mass:
282.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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