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227-82-7 | 1,3-Benzodioxolo[5,4-b]quinolizinium(8CI,9CI)
CAS No: 227-82-7 Catalog No: AG007NQE MDL No:
Product Description
Catalog Number:
AG007NQE
Chemical Name:
1,3-Benzodioxolo[5,4-b]quinolizinium(8CI,9CI)
CAS Number:
227-82-7
Molecular Formula:
C14H10NO2+
Molecular Weight:
224.2347
IUPAC Name:
[1,3]benzodioxolo[6,7-b]quinolizin-11-ium
InChI:
InChI=1S/C14H10NO2/c1-2-6-15-8-12-10(7-11(15)3-1)4-5-13-14(12)17-9-16-13/h1-8H,9H2/q+1
InChI Key:
OZXZAJNESMYANL-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)c1c[n+]3ccccc3cc1cc2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.071g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.239g/mol
Monoisotopic Mass:
224.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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