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1,4-Dioxaspiro[4.5]decane-8-acetonitrile

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Name

1,4-Dioxaspiro[4.5]decane-8-acetonitrile

EINECS
CAS No. 124499-37-2 Density 1.106 g/cm3
Solubility Melting Point
Formula C10H15NO2 Boiling Point 325.829 °C at 760 mmHg
Molecular Weight 181.23 Flash Point 130.993 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 124499-37-2 (1,4-Dioxaspiro[4.5]decane-8-acetonitrile) Hazard Symbols
Synonyms

1,4-Dioxaspiro[4.5]dec-8-ylacetonitrile;

 

1,4-Dioxaspiro[4.5]decane-8-acetonitrile Specification

The 1, 4-Dioxaspiro[4.5]decane-8-acetonitrile has CAS registry number 124499-37-2. This chemical's molecular formula is C10H15NO2 and molecular weight is 181.23. What's more, its systematic name is 1, 4-Dioxaspiro[4.5]dec-8-ylacetonitrile.

Physical properties about 1, 4-Dioxaspiro[4.5]decane-8-acetonitrile are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27; (8)ACD/KOC (pH 7.4): 27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.25 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 47.673 cm3; (15)Molar Volume: 163.911 cm3; (16)Polarizability: 18.899×10-24 cm3; (17)Surface Tension: 41.41 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 130.993 °C; (20)Enthalpy of Vaporization: 56.798 kJ/mol; (21)Boiling Point: 325.829 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCC2CCC1(OCCO1)CC2
(2) InChI: InChI=1/C10H15NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-5,7-8H2
(3) InChIKey: BLIRGGYUBXDIHJ-UHFFFAOYAN

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