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Home > Other Heterocycles > 1936566-32-3
1936566-32-3 | 8-oxaspiro[bicyclo[3.2.1]octane-2,2'-oxirane]-3'-carbonitrile
CAS No: 1936566-32-3 Catalog No: AG01C6YE MDL No:
Product Description
Catalog Number:
AG01C6YE
Chemical Name:
8-oxaspiro[bicyclo[3.2.1]octane-2,2'-oxirane]-3'-carbonitrile
CAS Number:
1936566-32-3
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
spiro[8-oxabicyclo[3.2.1]octane-2,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C9H11NO2/c10-5-8-9(12-8)4-3-6-1-2-7(9)11-6/h6-8H,1-4H2
InChI Key:
UZEUQSPTKDBUKG-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCC1OC2CC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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