4-oxo-4-(pyridin-2-yl)butanoic acid

4-oxo-4-(pyridin-2-yl)butanoic acid

CAS: 5768-27-4

Formula: C9H9NO3

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

IUPAC: 4-oxo-4-(pyridin-2-yl)butanoic acid

InChI: InChI=1S/C9H9NO3/c11-8(4-5-9(12)13)7-3-1-2-6-10-7/h1-3,6H,4-5H2,(H,12,13)

Composition: C (60.33%), H (5.06%), N (7.82%), O (26.79%)

Molar Mass: 179.175

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.058243154
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CVKJOHUNVFCNJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.83
Topological Polar Surface Area	67.26
Polarizability	17.42
Ring Count	1
Rotatable Bond Count	4

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