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5-ethynylpyridine-3-carboxylic acid

5-ethynylpyridine-3-carboxylic acid

CAS: 1211533-87-7

Formula: C8H5NO2

SMILES: OC(=O)C1=CC(=CN=C1)C#C

IUPAC: 5-ethynylpyridine-3-carboxylic acid

InChI: InChI=1S/C8H5NO2/c1-2-6-3-7(8(10)11)5-9-4-6/h1,3-5H,(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 GXDWHRUZQQCVCV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.33
Topological Polar Surface Area 50.19
Polarizability 14.36
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1211533-87-7 $63.05-$153.84$63.05$153.84
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