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100-76-5 | Quinuclidine
CAS No: 100-76-5 Catalog No: AG00006Q MDL No:MFCD00006690
Product Description
Catalog Number:
AG00006Q
Chemical Name:
Quinuclidine
CAS Number:
100-76-5
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
MDL Number:
MFCD00006690
IUPAC Name:
1-azabicyclo[2.2.2]octane
InChI:
InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
InChI Key:
SBYHFKPVCBCYGV-UHFFFAOYSA-N
SMILES:
C1CN2CCC1CC2
EC Number:
202-887-1
UNII:
XFX99FC5VI
Properties
Complexity:
71.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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