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5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine-3-carboxylic acid

5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine-3-carboxylic acid

CAS: 886505-83-5

Formula: C11H11NO3

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

IUPAC: 5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine-3-carboxylic acid

InChI: InChI=1S/C11H11NO3/c1-11(2,15)4-3-8-5-9(10(13)14)7-12-6-8/h5-7,15H,1-2H3,(H,13,14)

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 205.213

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.073893218
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YHPRXKWSTJOFBT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.66
Topological Polar Surface Area 70.42
Polarizability 20.51
Ring Count 1
Rotatable Bond Count 3

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