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Home > Other Heterocycles > 83115-71-3
83115-71-3 | Spiro[2.5]octane-4-carbonitrile
CAS No: 83115-71-3 Catalog No: AG004WRO MDL No:
Product Description
Catalog Number:
AG004WRO
Chemical Name:
Spiro[2.5]octane-4-carbonitrile
CAS Number:
83115-71-3
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
IUPAC Name:
spiro[2.5]octane-8-carbonitrile
InChI:
InChI=1S/C9H13N/c10-7-8-3-1-2-4-9(8)5-6-9/h8H,1-6H2
InChI Key:
QJDLHCPRCOIKNN-UHFFFAOYSA-N
SMILES:
N#CC1CCCCC21CC2
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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