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


Chemical Name: 1,4-Dioxaspiro[4.5]decane-8-acetonitrile
CAS Number: 124499-37-2
Product Number: AG000M3U(AGN-PC-0N16AE)
Synonyms:
MDL No:
Molecular Formula: C10H15NO2
Molecular Weight: 181.2316

Identification/Properties


Computed Properties
Molecular Weight:
181.235g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
181.11g/mol
Monoisotopic Mass:
181.11g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
214
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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