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6-(prop-1-yn-1-yl)pyridine-3-carboxylic acid

6-(prop-1-yn-1-yl)pyridine-3-carboxylic acid

Formula: C9H7NO2

SMILES: CC#CC1=NC=C(C=C1)C(O)=O

IUPAC: 6-(prop-1-yn-1-yl)pyridine-3-carboxylic acid

InChI: InChI=1S/C9H7NO2/c1-2-3-8-5-4-7(6-10-8)9(11)12/h4-6H,1H3,(H,11,12)

Composition: C (67.08%), H (4.38%), N (8.69%), O (19.85%)

Molar Mass: 161.16

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 161.047678469
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KOCVLAGDUZQSML-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.46
Topological Polar Surface Area 50.19
Polarizability 16.19
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime Formula UnitPrice
98% <10 Days C9H7NO2 Quote Only