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4986-05-4

4986-05-4 | 2,5-dimethylpyridine 1-oxide

CAS No: 4986-05-4 Catalog No: AG00DVEH MDL No:MFCD00234340

Product Description

Catalog Number:
AG00DVEH
Chemical Name:
2,5-dimethylpyridine 1-oxide
CAS Number:
4986-05-4
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00234340
IUPAC Name:
2,5-dimethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H9NO/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
InChI Key:
KFEWUCOFCOAYQZ-UHFFFAOYSA-N
SMILES:
Cc1ccc([n+](c1)[O-])C

Properties

Complexity:
94.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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