1,4-dioxaspiro[4.5]decane-8-carbonitrile

1,4-dioxaspiro[4.5]decane-8-carbonitrile

CAS: 69947-09-7

Formula: C9H13NO2

SMILES: N#CC1CCC2(CC1)OCCO2

IUPAC: 1,4-dioxaspiro[4.5]decane-8-carbonitrile

InChI: InChI=1S/C9H13NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-6H2

Composition: C (64.65%), H (7.84%), N (8.38%), O (19.14%)

Molar Mass: 167.208

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	167.094628663
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WZWQNWWFCHNJON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.72
Topological Polar Surface Area	42.25
Polarizability	17.11
Ring Count	2
Rotatable Bond Count	0

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