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Home > Other Heterocycles > 1876262-37-1
1876262-37-1 | 6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 1876262-37-1 Catalog No: AG01C6QX MDL No:MFCD31432299
Product Description
Catalog Number:
AG01C6QX
Chemical Name:
6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1876262-37-1
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
MDL Number:
MFCD31432299
IUPAC Name:
6-(2-methylbutan-2-yl)-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C13H21NO/c1-4-12(2,3)10-5-7-13(8-6-10)11(9-14)15-13/h10-11H,4-8H2,1-3H3
InChI Key:
MEWXKSHTWLCAQX-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCC(CC2)C(CC)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.317g/mol
Monoisotopic Mass:
207.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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