{4-cyano-2-oxabicyclo[2.1.1]hexan-1-yl}methyl acetate

{4-cyano-2-oxabicyclo[2.1.1]hexan-1-yl}methyl acetate

Formula: C9H11NO3

SMILES: CC(=O)OCC12CC(C1)(CO2)C#N

IUPAC: {4-cyano-2-oxabicyclo[2.1.1]hexan-1-yl}methyl acetate

InChI: InChI=1S/C9H11NO3/c1-7(11)12-6-9-2-8(3-9,4-10)5-13-9/h2-3,5-6H2,1H3

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 181.191

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	181.073893218
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FORSRHFMUZMVSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.39
Topological Polar Surface Area	59.32
Polarizability	17.24
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H11NO3		Quote Only