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Home > Pyridines > 858678-71-4
858678-71-4 | 3-(Pyridin-2-yl);propiolic acid
CAS No: 858678-71-4 Catalog No: AG00IDSV MDL No:MFCD16619698
Product Description
Catalog Number:
AG00IDSV
Chemical Name:
3-(Pyridin-2-yl);propiolic acid
CAS Number:
858678-71-4
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD16619698
IUPAC Name:
3-pyridin-2-ylprop-2-ynoic acid
InChI:
InChI=1S/C8H5NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-3,6H,(H,10,11)
InChI Key:
PALVOZXUYYJTDL-UHFFFAOYSA-N
SMILES:
OC(=O)C#Cc1ccccn1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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