Home Aldehydes 2-Pyridinecarboxaldehyde, 6-ethynyl-

2-Pyridinecarboxaldehyde, 6-ethynyl-

CAS No.:
183438-97-3
Catalog Number:
AG0027KI
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
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Product Description
Catalog Number:
AG0027KI
Chemical Name:
2-Pyridinecarboxaldehyde, 6-ethynyl-
CAS Number:
183438-97-3
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
MDL Number:
MFCD11111247
IUPAC Name:
6-ethynylpyridine-2-carbaldehyde
InChI:
InChI=1S/C8H5NO/c1-2-7-4-3-5-8(6-10)9-7/h1,3-6H
InChI Key:
PQTBOUTVACLTJW-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(n1)C#C
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.037g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.134g/mol
Monoisotopic Mass:
131.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties