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Home > Aldehydes > 1198794-04-5
1198794-04-5 | 2-(4-Methoxyphenyl)isonicotinaldehyde
CAS No: 1198794-04-5 Catalog No: AG01FCY8 MDL No:
Product Description
Catalog Number:
AG01FCY8
Chemical Name:
2-(4-Methoxyphenyl)isonicotinaldehyde
CAS Number:
1198794-04-5
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
2-(4-methoxyphenyl)pyridine-4-carbaldehyde
InChI:
InChI=1S/C13H11NO2/c1-16-12-4-2-11(3-5-12)13-8-10(9-15)6-7-14-13/h2-9H,1H3
InChI Key:
UIHQNAJUCHLWFI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nccc(c1)C=O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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