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5-oxo-5-(pyridin-3-yl)pentanoic acid

5-oxo-5-(pyridin-3-yl)pentanoic acid

CAS: 22971-46-6

Formula: C10H11NO3

SMILES: OC(=O)CCCC(=O)C1=CC=CN=C1

IUPAC: 5-oxo-5-(pyridin-3-yl)pentanoic acid

InChI: InChI=1S/C10H11NO3/c12-9(4-1-5-10(13)14)8-3-2-6-11-7-8/h2-3,6-7H,1,4-5H2,(H,13,14)

Composition: C (62.17%), H (5.74%), N (7.25%), O (24.84%)

Molar Mass: 193.202

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 193.073893218
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CBCASGYWHGHBHC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.8
Topological Polar Surface Area 67.26
Polarizability 19.24
Ring Count 1
Rotatable Bond Count 5

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