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Home > Other Heterocycles > 91339-54-7
91339-54-7 | 6-(propan-2-yl)-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 91339-54-7 Catalog No: AG01C6NN MDL No:MFCD31432170
Product Description
Catalog Number:
AG01C6NN
Chemical Name:
6-(propan-2-yl)-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
91339-54-7
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD31432170
IUPAC Name:
6-propan-2-yl-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C11H17NO/c1-8(2)9-3-5-11(6-4-9)10(7-12)13-11/h8-10H,3-6H2,1-2H3
InChI Key:
PZHHJMVYOPKTLG-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCC(CC2)C(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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