3-[2-(2-cyanoethoxy)ethoxy]propanenitrile

3-[2-(2-cyanoethoxy)ethoxy]propanenitrile

CAS: 3386-87-6

Formula: C8H12N2O2

SMILES: N#CCCOCCOCCC#N

IUPAC: 3-[2-(2-cyanoethoxy)ethoxy]propanenitrile

InChI: InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2

Composition: C (57.13%), H (7.19%), N (16.66%), O (19.02%)

Molar Mass: 168.196

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	168.089877634
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VTHRQKSLPFJQHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.58
Topological Polar Surface Area	66.04
Polarizability	16.59
Ring Count	0
Rotatable Bond Count	7

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