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Home > Pyridines > 113659-65-7
113659-65-7 | Pyridinium, 1-[(5-methyl-6-oxo-6H-1,3,4-oxadiazin-2-yl)methyl]-
CAS No: 113659-65-7 Catalog No: AG000994 MDL No:
Product Description
Catalog Number:
AG000994
Chemical Name:
Pyridinium, 1-[(5-methyl-6-oxo-6H-1,3,4-oxadiazin-2-yl)methyl]-
CAS Number:
113659-65-7
Molecular Formula:
C10H10N3O2+
Molecular Weight:
204.2053
IUPAC Name:
5-methyl-2-(pyridin-1-ium-1-ylmethyl)-1,3,4-oxadiazin-6-one
InChI:
InChI=1S/C10H10N3O2/c1-8-10(14)15-9(12-11-8)7-13-5-3-2-4-6-13/h2-6H,7H2,1H3/q+1
InChI Key:
MKVJFVOSOYPOMG-UHFFFAOYSA-N
SMILES:
Cc1nnc(oc1=O)C[n+]1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.077g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.209g/mol
Monoisotopic Mass:
204.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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