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78156-40-8 | 3-Pyridinamine,5-methoxy-, 1-oxide
CAS No: 78156-40-8 Catalog No: AG0054YQ MDL No:MFCD11520896
Product Description
Catalog Number:
AG0054YQ
Chemical Name:
3-Pyridinamine,5-methoxy-, 1-oxide
CAS Number:
78156-40-8
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD11520896
IUPAC Name:
5-methoxy-1-oxidopyridin-1-ium-3-amine
InChI:
InChI=1S/C6H8N2O2/c1-10-6-2-5(7)3-8(9)4-6/h2-4H,7H2,1H3
InChI Key:
FRBFPGNUTPJOHJ-UHFFFAOYSA-N
SMILES:
COc1c[n+]([O-])cc(c1)N
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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