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Home > Aldehydes > 1196153-32-8
1196153-32-8 | 4-Pyridinecarboxaldehyde, 3-ethynyl-
CAS No: 1196153-32-8 Catalog No: AG000PB8 MDL No:MFCD13189762
Product Description
Catalog Number:
AG000PB8
Chemical Name:
4-Pyridinecarboxaldehyde, 3-ethynyl-
CAS Number:
1196153-32-8
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
MDL Number:
MFCD13189762
IUPAC Name:
3-ethynylpyridine-4-carbaldehyde
InChI:
InChI=1S/C8H5NO/c1-2-7-5-9-4-3-8(7)6-10/h1,3-6H
InChI Key:
SCYSVFOTYOCVSA-UHFFFAOYSA-N
SMILES:
O=Cc1ccncc1C#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:
0.6
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