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3-(pyridin-2-yl)prop-2-ynoic acid

3-(pyridin-2-yl)prop-2-ynoic acid

CAS: 858678-71-4

Formula: C8H5NO2

SMILES: OC(=O)C#CC1=CC=CC=N1

IUPAC: 3-(pyridin-2-yl)prop-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)

Composition: C (65.31%), H (3.43%), N (9.52%), O (21.75%)

Molar Mass: 147.133

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 147.032028405
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PALVOZXUYYJTDL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.92
Topological Polar Surface Area 50.19
Polarizability 14.39
Ring Count 1
Rotatable Bond Count 2

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