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114261-00-6 | Pyridinium, 3-(aminocarbonyl)-1,6-dimethyl-
CAS No: 114261-00-6 Catalog No: AG000AX6 MDL No:
Product Description
Catalog Number:
AG000AX6
Chemical Name:
Pyridinium, 3-(aminocarbonyl)-1,6-dimethyl-
CAS Number:
114261-00-6
Molecular Formula:
C8H11N2O+
Molecular Weight:
151.1857
IUPAC Name:
1,6-dimethylpyridin-1-ium-3-carboxamide
InChI:
InChI=1S/C8H10N2O/c1-6-3-4-7(8(9)11)5-10(6)2/h3-5H,1-2H3,(H-,9,11)/p+1
InChI Key:
OWRURNIGNDXVLM-UHFFFAOYSA-O
SMILES:
NC(=O)c1ccc([n+](c1)C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.087g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.189g/mol
Monoisotopic Mass:
151.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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