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53940-08-2 | (2E)-3-Phenyl-1-(pyridin-4-yl)prop-2-en-1-one
CAS No: 53940-08-2 Catalog No: AG01EWE6 MDL No:MFCD00224673
Product Description
Catalog Number:
AG01EWE6
Chemical Name:
(2E)-3-Phenyl-1-(pyridin-4-yl)prop-2-en-1-one
CAS Number:
53940-08-2
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
MDL Number:
MFCD00224673
IUPAC Name:
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C14H11NO/c16-14(13-8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChI Key:
SVMJUKBSJNQUFP-VOTSOKGWSA-N
SMILES:
O=C(c1ccncc1)/C=C/c1ccccc1
NSC Number:
39784
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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