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Home > Pyridines > 1291678-94-8
1291678-94-8 | 2-(3-methoxyphenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile
CAS No: 1291678-94-8 Catalog No: AG01C1JW MDL No:MFCD13324961
Product Description
Catalog Number:
AG01C1JW
Chemical Name:
2-(3-methoxyphenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile
CAS Number:
1291678-94-8
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD13324961
IUPAC Name:
2-(3-methoxyphenyl)-3-oxo-3-pyridin-3-ylpropanenitrile
InChI:
InChI=1S/C15H12N2O2/c1-19-13-6-2-4-11(8-13)14(9-16)15(18)12-5-3-7-17-10-12/h2-8,10,14H,1H3
InChI Key:
RCPHNIQTZVUASN-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)c1cccnc1)c1cccc(c1)OC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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