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Home > Other Heterocycles > 87943-79-1
87943-79-1 | 2-Azoniaspiro[5.5]undeca-1,8-diene, 2-methyl-
CAS No: 87943-79-1 Catalog No: AG004D5P MDL No:
Product Description
Catalog Number:
AG004D5P
Chemical Name:
2-Azoniaspiro[5.5]undeca-1,8-diene, 2-methyl-
CAS Number:
87943-79-1
Molecular Formula:
C11H18N+
Molecular Weight:
164.2673
IUPAC Name:
2-methyl-2-azoniaspiro[5.5]undeca-1,9-diene
InChI:
InChI=1S/C11H18N/c1-12-9-5-8-11(10-12)6-3-2-4-7-11/h2-3,10H,4-9H2,1H3/q+1
InChI Key:
OBWOZICNQYLLHN-UHFFFAOYSA-N
SMILES:
C[N+]1=CC2(CCC1)CCC=CC2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.144g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.272g/mol
Monoisotopic Mass:
164.144g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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