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2-(pyridin-4-yl)cyclopropane-1-carboxylic acid

2-(pyridin-4-yl)cyclopropane-1-carboxylic acid

CAS: 484654-49-1

Formula: C9H9NO2

SMILES: OC(=O)C1CC1C1=CC=NC=C1

IUPAC: 2-(pyridin-4-yl)cyclopropane-1-carboxylic acid

InChI: InChI=1/C9H9NO2/c11-9(12)8-5-7(8)6-1-3-10-4-2-6/h1-4,7-8H,5H2,(H,11,12)

Composition: C (66.25%), H (5.56%), N (8.58%), O (19.61%)

Molar Mass: 163.176

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 163.063328534
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YFOFMIZNXREQAS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.53
Topological Polar Surface Area 50.19
Polarizability 16.59
Ring Count 2
Rotatable Bond Count 2

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