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Home > Aldehydes > 824427-06-7
824427-06-7 | Benzaldehyde, 3-(4-pyridinylethynyl)-
CAS No: 824427-06-7 Catalog No: AG005131 MDL No:
Product Description
Catalog Number:
AG005131
Chemical Name:
Benzaldehyde, 3-(4-pyridinylethynyl)-
CAS Number:
824427-06-7
Molecular Formula:
C14H9NO
Molecular Weight:
207.2274
IUPAC Name:
3-(2-pyridin-4-ylethynyl)benzaldehyde
InChI:
InChI=1S/C14H9NO/c16-11-14-3-1-2-13(10-14)5-4-12-6-8-15-9-7-12/h1-3,6-11H
InChI Key:
FPPQLKGTUHYQCI-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C#Cc1ccncc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.232g/mol
Monoisotopic Mass:
207.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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