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478159-18-1 | Benzaldehyde, 4-(2-pyridinylethynyl)-
CAS No: 478159-18-1 Catalog No: AG006Z7J MDL No:
Product Description
Catalog Number:
AG006Z7J
Chemical Name:
Benzaldehyde, 4-(2-pyridinylethynyl)-
CAS Number:
478159-18-1
Molecular Formula:
C14H9NO
Molecular Weight:
207.2274
IUPAC Name:
4-(2-pyridin-2-ylethynyl)benzaldehyde
InChI:
InChI=1S/C14H9NO/c16-11-13-6-4-12(5-7-13)8-9-14-3-1-2-10-15-14/h1-7,10-11H
InChI Key:
ZRRWOZZZOISMIQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#Cc1ccccn1
Properties
Complexity:
290
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:
2.4
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