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25952-30-1 | Benzo[h]-1,6-naphthyridine, 6-oxide
CAS No: 25952-30-1 Catalog No: AG002R6S MDL No:
Product Description
Catalog Number:
AG002R6S
Chemical Name:
Benzo[h]-1,6-naphthyridine, 6-oxide
CAS Number:
25952-30-1
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
IUPAC Name:
6-oxidobenzo[h][1,6]naphthyridin-6-ium
InChI:
InChI=1S/C12H8N2O/c15-14-8-9-4-3-7-13-12(9)10-5-1-2-6-11(10)14/h1-8H
InChI Key:
MWYJFXASCWLYCX-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc2cccnc2c2c1cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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