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Home > Pyridines > 692738-04-8
692738-04-8 | 2-oxo-1-[(2E)-3-phenylprop-2-en-1-yl]-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 692738-04-8 Catalog No: AG00IW3J MDL No:MFCD03012379
Product Description
Catalog Number:
AG00IW3J
Chemical Name:
2-oxo-1-[(2E)-3-phenylprop-2-en-1-yl]-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
692738-04-8
Molecular Formula:
C19H14N2OS
Molecular Weight:
318.3923
MDL Number:
MFCD03012379
IUPAC Name:
2-oxo-1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C19H14N2OS/c20-14-17-16(18-9-5-13-23-18)10-12-21(19(17)22)11-4-8-15-6-2-1-3-7-15/h1-10,12-13H,11H2/b8-4+
InChI Key:
WPUYXJZBWYVMDU-XBXARRHUSA-N
SMILES:
N#Cc1c(ccn(c1=O)C/C=C/c1ccccc1)c1cccs1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
318.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.394g/mol
Monoisotopic Mass:
318.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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