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Home > Other Heterocycles > 124499-37-2
124499-37-2 | 2-(1,4-Dioxaspiro[4.5]decan-8-yl)acetonitrile
CAS No: 124499-37-2 Catalog No: AG000M3U MDL No:MFCD09037894
Product Description
Catalog Number:
AG000M3U
Chemical Name:
2-(1,4-Dioxaspiro[4.5]decan-8-yl)acetonitrile
CAS Number:
124499-37-2
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD09037894
IUPAC Name:
2-(1,4-dioxaspiro[4.5]decan-8-yl)acetonitrile
InChI:
InChI=1S/C10H15NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-5,7-8H2
InChI Key:
BLIRGGYUBXDIHJ-UHFFFAOYSA-N
SMILES:
N#CCC1CCC2(CC1)OCCO2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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