Home Carboxys Methyl quinuclidine-4-carboxylate

Methyl quinuclidine-4-carboxylate

CAS No.:
51069-26-2
Catalog Number:
AG00DJOV
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
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Product Description
Catalog Number:
AG00DJOV
Chemical Name:
Methyl quinuclidine-4-carboxylate
CAS Number:
51069-26-2
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD18374586
IUPAC Name:
methyl 1-azabicyclo[2.2.2]octane-4-carboxylate
InChI:
InChI=1S/C9H15NO2/c1-12-8(11)9-2-5-10(6-3-9)7-4-9/h2-7H2,1H3
InChI Key:
IEVLTLPETASBIA-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCN(CC1)CC2
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties