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Home > Other Heterocycles > 65445-49-0
65445-49-0 | 6-tert-butyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 65445-49-0 Catalog No: AG01C6PJ MDL No:MFCD31432252
Product Description
Catalog Number:
AG01C6PJ
Chemical Name:
6-tert-butyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
65445-49-0
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
MDL Number:
MFCD31432252
IUPAC Name:
6-tert-butyl-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C12H19NO/c1-11(2,3)9-4-6-12(7-5-9)10(8-13)14-12/h9-10H,4-7H2,1-3H3
InChI Key:
HMSHWRGWUCRRAF-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCC(CC2)C(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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