Home Carboxys Methyl quinuclidine-3-carboxylate hydrochloride

Methyl quinuclidine-3-carboxylate hydrochloride

CAS No.:
54954-73-3
Catalog Number:
AG003RTE
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
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Product Description
Catalog Number:
AG003RTE
Chemical Name:
Methyl quinuclidine-3-carboxylate hydrochloride
CAS Number:
54954-73-3
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
MDL Number:
MFCD01073582
IUPAC Name:
methyl 1-azabicyclo[2.2.2]octane-3-carboxylate;hydrochloride
InChI:
InChI=1S/C9H15NO2.ClH/c1-12-9(11)8-6-10-4-2-7(8)3-5-10;/h7-8H,2-6H2,1H3;1H
InChI Key:
NDTQASSGEAZYOT-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN2CCC1CC2.Cl
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.682g/mol
Monoisotopic Mass:
205.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties