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10242-36-1

10242-36-1 | 2-Pyridinemethanol, 1-oxide

CAS No: 10242-36-1 Catalog No: AG0007F5 MDL No:

Product Description

Catalog Number:
AG0007F5
Chemical Name:
2-Pyridinemethanol, 1-oxide
CAS Number:
10242-36-1
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
IUPAC Name:
(1-oxidopyridin-1-ium-2-yl)methanol
InChI:
InChI=1S/C6H7NO2/c8-5-6-3-1-2-4-7(6)9/h1-4,8H,5H2
InChI Key:
FNHPXOZSWXLMGI-UHFFFAOYSA-N
SMILES:
OCc1cccc[n+]1[O-]
EC Number:
233-580-0

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:
1  
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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