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Home > Pyridines > 1989671-85-3
1989671-85-3 | potassium 4-methyl-2-(pyridin-4-yl)pentanoate
CAS No: 1989671-85-3 Catalog No: AG01B6TI MDL No:MFCD30342939
Product Description
Catalog Number:
AG01B6TI
Chemical Name:
potassium 4-methyl-2-(pyridin-4-yl)pentanoate
CAS Number:
1989671-85-3
Molecular Formula:
C11H14KNO2
Molecular Weight:
231.3327
MDL Number:
MFCD30342939
IUPAC Name:
potassium;4-methyl-2-pyridin-4-ylpentanoate
InChI:
InChI=1S/C11H15NO2.K/c1-8(2)7-10(11(13)14)9-3-5-12-6-4-9;/h3-6,8,10H,7H2,1-2H3,(H,13,14);/q;+1/p-1
InChI Key:
UFQDAVQCXIXURC-UHFFFAOYSA-M
SMILES:
CC(CC(c1ccncc1)C(=O)[O-])C.[K+]
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.336g/mol
Monoisotopic Mass:
231.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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