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14906-55-9 | 4-Ethylpyridine 1-Oxide
CAS No: 14906-55-9 Catalog No: AG003LCG MDL No:MFCD00160751
Product Description
Catalog Number:
AG003LCG
Chemical Name:
4-Ethylpyridine 1-Oxide
CAS Number:
14906-55-9
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00160751
IUPAC Name:
4-ethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H9NO/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChI Key:
VFJRXOXKSUBBMR-UHFFFAOYSA-N
SMILES:
CCc1cc[n+](cc1)[O-]
EC Number:
238-973-0
Properties
Complexity:
77
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:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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