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Home > Pyridines > 167219-77-4
167219-77-4 | 2-Propen-1-one, 3-(2-methylphenyl)-1-(2-pyridinyl)-
CAS No: 167219-77-4 Catalog No: AG001X70 MDL No:
Product Description
Catalog Number:
AG001X70
Chemical Name:
2-Propen-1-one, 3-(2-methylphenyl)-1-(2-pyridinyl)-
CAS Number:
167219-77-4
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
3-(2-methylphenyl)-1-pyridin-2-ylprop-2-en-1-one
InChI:
InChI=1S/C15H13NO/c1-12-6-2-3-7-13(12)9-10-15(17)14-8-4-5-11-16-14/h2-11H,1H3
InChI Key:
CFTWMYYPIUCQBG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)C=Cc1ccccc1C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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