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19866-62-7 | Pyrido[2,3-d]pyridazine, 7-oxide
CAS No: 19866-62-7 Catalog No: AG002BOR MDL No:
Product Description
Catalog Number:
AG002BOR
Chemical Name:
Pyrido[2,3-d]pyridazine, 7-oxide
CAS Number:
19866-62-7
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
IUPAC Name:
7-oxidopyrido[2,3-d]pyridazin-7-ium
InChI:
InChI=1S/C7H5N3O/c11-10-5-7-6(4-9-10)2-1-3-8-7/h1-5H
InChI Key:
HBFJNZBYSXSNHZ-UHFFFAOYSA-N
SMILES:
[O-][n+]1ncc2c(c1)nccc2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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