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1620-55-9 | Ethanone, 1-phenyl-2-(4-pyridinyl)-
CAS No: 1620-55-9 Catalog No: AG001SM5 MDL No:MFCD00234969
Product Description
Catalog Number:
AG001SM5
Chemical Name:
Ethanone, 1-phenyl-2-(4-pyridinyl)-
CAS Number:
1620-55-9
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD00234969
IUPAC Name:
1-phenyl-2-pyridin-4-ylethanone
InChI:
InChI=1S/C13H11NO/c15-13(12-4-2-1-3-5-12)10-11-6-8-14-9-7-11/h1-9H,10H2
InChI Key:
ACULMSXMKICJIS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cc1ccncc1
NSC Number:
146504
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Tuning the redox chemistry of 4-benzoyl-N-methylpyridinium cations through para substitution. Hammett linear free energy relationships and the relative aptitude of the two-electron reduced forms for H-bonding. | The Journal of organic chemistry 20021018 |
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