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14906-61-7

14906-61-7 | Pyridine, 3-methoxy-, 1-oxide

CAS No: 14906-61-7 Catalog No: AG001LDO MDL No:MFCD01859726

Product Description

Catalog Number:
AG001LDO
Chemical Name:
Pyridine, 3-methoxy-, 1-oxide
CAS Number:
14906-61-7
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD01859726
IUPAC Name:
3-methoxy-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H7NO2/c1-9-6-3-2-4-7(8)5-6/h2-5H,1H3
InChI Key:
CREDSSUYAKFWJO-UHFFFAOYSA-N
SMILES:
COc1ccc[n+](c1)[O-]

Properties

Complexity:
87.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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