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188657-86-5 | Propanamide, 2,2-dimethyl-N-[(1-oxido-3-pyridinyl)methyl]-
CAS No: 188657-86-5 Catalog No: AG002H3Y MDL No:
Product Description
Catalog Number:
AG002H3Y
Chemical Name:
Propanamide, 2,2-dimethyl-N-[(1-oxido-3-pyridinyl)methyl]-
CAS Number:
188657-86-5
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
IUPAC Name:
2,2-dimethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]propanamide
InChI:
InChI=1S/C11H16N2O2/c1-11(2,3)10(14)12-7-9-5-4-6-13(15)8-9/h4-6,8H,7H2,1-3H3,(H,12,14)
InChI Key:
DUONREPKAOPORH-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1)CNC(=O)C(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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