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Home > Other Heterocycles > 1935892-53-7
1935892-53-7 | 5,5-dimethyl-1-oxaspiro[2.3]hexane-2-carbonitrile
CAS No: 1935892-53-7 Catalog No: AG01C6XV MDL No:MFCD31432576
Product Description
Catalog Number:
AG01C6XV
Chemical Name:
5,5-dimethyl-1-oxaspiro[2.3]hexane-2-carbonitrile
CAS Number:
1935892-53-7
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD31432576
IUPAC Name:
5,5-dimethyl-1-oxaspiro[2.3]hexane-2-carbonitrile
InChI:
InChI=1S/C8H11NO/c1-7(2)4-8(5-7)6(3-9)10-8/h6H,4-5H2,1-2H3
InChI Key:
FPDRFLSJOBZLME-UHFFFAOYSA-N
SMILES:
N#CC1OC21CC(C2)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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