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64364-85-8 | 2-Pyridineethanol, 1-oxide
CAS No: 64364-85-8 Catalog No: AG01EWRU MDL No:MFCD00493733
Product Description
Catalog Number:
AG01EWRU
Chemical Name:
2-Pyridineethanol, 1-oxide
CAS Number:
64364-85-8
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD00493733
IUPAC Name:
2-(1-oxidopyridin-1-ium-2-yl)ethanol
InChI:
InChI=1S/C7H9NO2/c9-6-4-7-3-1-2-5-8(7)10/h1-3,5,9H,4,6H2
InChI Key:
DNLHXYAXOACXKW-UHFFFAOYSA-N
SMILES:
OCCc1cccc[n+]1[O-]
NSC Number:
187518
Properties
Complexity:
97.6
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:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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