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Home > Other Heterocycles > 883442-47-5
883442-47-5 | 1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS No: 883442-47-5 Catalog No: AG00H43C MDL No:MFCD20485154
Product Description
Catalog Number:
AG00H43C
Chemical Name:
1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS Number:
883442-47-5
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD20485154
IUPAC Name:
1,6-dioxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C7H9NO2/c8-5-6-7(10-6)1-3-9-4-2-7/h6H,1-4H2
InChI Key:
IPHRJNDSVHURSO-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCOCC2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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