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26883-29-4 | Methyl 3-methyl-1-oxidopyridin-4-yl ether
CAS No: 26883-29-4 Catalog No: AG00I533 MDL No:MFCD00234344
Product Description
Catalog Number:
AG00I533
Chemical Name:
Methyl 3-methyl-1-oxidopyridin-4-yl ether
CAS Number:
26883-29-4
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD00234344
IUPAC Name:
4-methoxy-3-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H9NO2/c1-6-5-8(9)4-3-7(6)10-2/h3-5H,1-2H3
InChI Key:
BTHHSVRNEVRRCX-UHFFFAOYSA-N
SMILES:
COc1cc[n+](cc1C)[O-]
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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