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ethyl 3-(3-ethoxy-3-oxopropyl)pyridine-4-carboxylate

ethyl 3-(3-ethoxy-3-oxopropyl)pyridine-4-carboxylate

CAS: 1416373-89-1

Formula: C13H17NO4

SMILES: CCOC(=O)CCC1=C(C=CN=C1)C(=O)OCC

IUPAC: ethyl 3-(3-ethoxy-3-oxopropyl)pyridine-4-carboxylate

InChI: InChI=1S/C13H17NO4/c1-3-17-12(15)6-5-10-9-14-8-7-11(10)13(16)18-4-2/h7-9H,3-6H2,1-2H3

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.115758031
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QOUKUKHYEHLMFF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.1
Topological Polar Surface Area 65.49
Polarizability 25.7
Ring Count 1
Rotatable Bond Count 8

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