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2875-27-6 | 2-Propen-1-one, 1-(2-hydroxyphenyl)-3-(4-pyridinyl)-
CAS No: 2875-27-6 Catalog No: AG002WCT MDL No:
Product Description
Catalog Number:
AG002WCT
Chemical Name:
2-Propen-1-one, 1-(2-hydroxyphenyl)-3-(4-pyridinyl)-
CAS Number:
2875-27-6
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
IUPAC Name:
1-(2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C14H11NO2/c16-13-4-2-1-3-12(13)14(17)6-5-11-7-9-15-10-8-11/h1-10,16H
InChI Key:
ALFBHQNLQYNPJR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)C=Cc1ccncc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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