ethyl 3-oxo-4-(pyridin-4-yl)butanoate

ethyl 3-oxo-4-(pyridin-4-yl)butanoate

CAS: 244638-98-0

Formula: C11H13NO3

SMILES: CCOC(=O)CC(=O)CC1=CC=NC=C1

IUPAC: ethyl 3-oxo-4-(pyridin-4-yl)butanoate

InChI: InChI=1S/C11H13NO3/c1-2-15-11(14)8-10(13)7-9-3-5-12-6-4-9/h3-6H,2,7-8H2,1H3

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.089543283
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LOJMPRLFJDIJQG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.62
Topological Polar Surface Area	56.26
Polarizability	21.33
Ring Count	1
Rotatable Bond Count	6

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