1,3-diethyl 2-(pyridin-4-ylmethyl)propanedioate

1,3-diethyl 2-(pyridin-4-ylmethyl)propanedioate

CAS: 101829-74-7

Formula: C13H17NO4

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

IUPAC: 1,3-diethyl 2-[(pyridin-4-yl)methyl]propanedioate

InChI: InChI=1S/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)9-10-5-7-14-8-6-10/h5-8,11H,3-4,9H2,1-2H3

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	MGZCCVPNCOIAAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.14
Topological Polar Surface Area	65.49
Polarizability	25.72
Ring Count	1
Rotatable Bond Count	8

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