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1201-72-5 | Pyridine, 4-(1-piperidinyl)-, 1-oxide
CAS No: 1201-72-5 Catalog No: AG000QAW MDL No:
Product Description
Catalog Number:
AG000QAW
Chemical Name:
Pyridine, 4-(1-piperidinyl)-, 1-oxide
CAS Number:
1201-72-5
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
1-oxido-4-piperidin-1-ylpyridin-1-ium
InChI:
InChI=1S/C10H14N2O/c13-12-8-4-10(5-9-12)11-6-2-1-3-7-11/h4-5,8-9H,1-3,6-7H2
InChI Key:
IEWMWCVXAPSYEX-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(cc1)N1CCCCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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