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Home > Pyridines > 173790-45-9
173790-45-9 | 1-Propanone, 1-(2-hydroxyphenyl)-2-methyl-2-(1-oxido-3-pyridinyl)-
CAS No: 173790-45-9 Catalog No: AG001Z6R MDL No:
Product Description
Catalog Number:
AG001Z6R
Chemical Name:
1-Propanone, 1-(2-hydroxyphenyl)-2-methyl-2-(1-oxido-3-pyridinyl)-
CAS Number:
173790-45-9
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
1-(2-hydroxyphenyl)-2-methyl-2-(1-oxidopyridin-1-ium-3-yl)propan-1-one
InChI:
InChI=1S/C15H15NO3/c1-15(2,11-6-5-9-16(19)10-11)14(18)12-7-3-4-8-13(12)17/h3-10,17H,1-2H3
InChI Key:
LXFDJMQKGRPMRH-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1)C(C(=O)c1ccccc1O)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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