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Home > Other Heterocycles > 1849341-17-8
1849341-17-8 | 5-methyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS No: 1849341-17-8 Catalog No: AG01C6RO MDL No:MFCD31432357
Product Description
Catalog Number:
AG01C6RO
Chemical Name:
5-methyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1849341-17-8
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD31432357
IUPAC Name:
5-methyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C8H11NO2/c1-6-4-8(2-3-10-6)7(5-9)11-8/h6-7H,2-4H2,1H3
InChI Key:
DWJOXZWSDIOVQF-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCOC(C2)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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