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13309-06-3 | 2-Propen-1-one, 3-(2-pyridinyl)-1-(3-pyridinyl)-
CAS No: 13309-06-3 Catalog No: AG00148Z MDL No:
Product Description
Catalog Number:
AG00148Z
Chemical Name:
2-Propen-1-one, 3-(2-pyridinyl)-1-(3-pyridinyl)-
CAS Number:
13309-06-3
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
InChI:
InChI=1S/C13H10N2O/c16-13(11-4-3-8-14-10-11)7-6-12-5-1-2-9-15-12/h1-10H
InChI Key:
ISLOMKARSPEYSI-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)C=Cc1ccccn1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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