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20531-86-6 | Pyridine, 2-(phenylmethyl)-, 1-oxide
CAS No: 20531-86-6 Catalog No: AG0029ZW MDL No:
Product Description
Catalog Number:
AG0029ZW
Chemical Name:
Pyridine, 2-(phenylmethyl)-, 1-oxide
CAS Number:
20531-86-6
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
2-benzyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C12H11NO/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
PGROZZNFAMSNJI-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccccc1Cc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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