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Home > Other Heterocycles > 1864688-88-9
1864688-88-9 | 5-(propan-2-yl)-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 1864688-88-9 Catalog No: AG01C6NG MDL No:MFCD31432160
Product Description
Catalog Number:
AG01C6NG
Chemical Name:
5-(propan-2-yl)-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1864688-88-9
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD31432160
IUPAC Name:
5-propan-2-yl-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C11H17NO/c1-8(2)9-4-3-5-11(6-9)10(7-12)13-11/h8-10H,3-6H2,1-2H3
InChI Key:
HJLBXIAXAINIFZ-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCC(C2)C(C)C
Properties
Complexity:
252
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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