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Home > Pyridines > 339103-17-2
339103-17-2 | 4-methoxy-2-{2-[(1E)-{[(4-methylphenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}pyridine-3-carbonitrile
CAS No: 339103-17-2 Catalog No: AG00IR0C MDL No:MFCD00975496
Product Description
Catalog Number:
AG00IR0C
Chemical Name:
4-methoxy-2-{2-[(1E)-{[(4-methylphenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}pyridine-3-carbonitrile
CAS Number:
339103-17-2
Molecular Formula:
C20H18N4O2
Molecular Weight:
346.3825
MDL Number:
MFCD00975496
IUPAC Name:
4-methoxy-2-[2-[(E)-(4-methylphenyl)methoxyiminomethyl]pyrrol-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C20H18N4O2/c1-15-5-7-16(8-6-15)14-26-23-13-17-4-3-11-24(17)20-18(12-21)19(25-2)9-10-22-20/h3-11,13H,14H2,1-2H3/b23-13+
InChI Key:
GAJYPSQBOVRKRH-YDZHTSKRSA-N
SMILES:
N#Cc1c(OC)ccnc1n1cccc1/C=N/OCc1ccc(cc1)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
346.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.39g/mol
Monoisotopic Mass:
346.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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