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16208-85-8 | 2-Propen-1-one, 1-phenyl-3-(4-pyridinyl)-
CAS No: 16208-85-8 Catalog No: AG001SQI MDL No:
Product Description
Catalog Number:
AG001SQI
Chemical Name:
2-Propen-1-one, 1-phenyl-3-(4-pyridinyl)-
CAS Number:
16208-85-8
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
IUPAC Name:
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C14H11NO/c16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12/h1-11H/b7-6+
InChI Key:
MSXXXMPYLQXAKL-VOTSOKGWSA-N
SMILES:
O=C(c1ccccc1)C=Cc1ccncc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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